SCHEMBL603784

SCHEMBL603784

CC(C)COC(=O)NC[O]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 5/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 2/20 0.39
ALOX15 P16050 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
MAOB P27338 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2A1 P68400 1/20 0.34
ACHE P22303 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL604896 0.83 SMN1; SMN2 (0.50) SMN1; SMN2TSHRALDH1A1LMNAMAPK1
SCHEMBL965401 0.82 SMN1; SMN2 (0.73) SMN1; SMN2TSHRALDH1A1LMNAMAPK1
SCHEMBL603785 0.82 SMN1; SMN2 (0.53) SMN1; SMN2TSHRALDH1A1LMNAMAPK1
SCHEMBL4611409 0.82 SMN1; SMN2 (0.53) SMN1; SMN2TSHRALDH1A1LMNAMAPK1
SCHEMBL1467635 0.81 SMN1; SMN2 (0.49) SMN1; SMN2TSHRALDH1A1LMNAMAPK1
SCHEMBL22361561 0.81 SMN1; SMN2 (0.49) SMN1; SMN2TSHRALDH1A1LMNAMAPK1
Ammonia Solution, Strong SCHEMBL9998724 0.80 SMN1; SMN2 (0.51) SMN1; SMN2TSHRALDH1A1LMNAMAPK1
SCHEMBL13741317 0.80 SMN1; SMN2 (0.51) SMN1; SMN2TSHRALDH1A1LMNAMAPK1
SCHEMBL11395168 0.80 SMN1; SMN2 (0.51) SMN1; SMN2TSHRALDH1A1LMNAMAPK1
SCHEMBL1468073 0.80 SMN1; SMN2 (0.51) SMN1; SMN2TSHRALDH1A1LMNAMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190290645-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2019-09-26 US disclosed
US-20190290632-A1 Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2019-09-26 US disclosed
EP-3057958-B1 AMINOTETRALINE AND AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-05-01 EP disclosed
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 EP disclosed
EP-2814810-B1 ISOINDOLINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2018-12-19 EP disclosed
US-20170173009-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. 2017-06-22 US disclosed
US-20170172993-A1 Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. 2017-06-22 US disclosed
US-9656955-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-23 US disclosed
US-9650334-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-16 US disclosed
US-9586945-B2 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-07 US disclosed
EP-2396323-A1 Heterocyclic compounds, pharmaceutical compositions containing them, and their use as inhibitors of the glycine transporter 1 Abbott GmbH & Co. KG (DE) 2011-12-21 EP disclosed
US-20110009378-A1 Heterocyclic compounds, pharmaceutical compositions containing them, and their use in therapy ABBOTT GMBH & CO. KG (DE) 2011-01-13 US disclosed
EP-2271625-A2 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott GmbH & Co. KG (DE) 2011-01-12 EP disclosed
US-20100273739-A1 Aminotetraline Derivatives, Pharmaceutical Composition, Containing Them, and Their Use in Therapy ABBVIE INC. 2010-10-28 US disclosed
US-20100222346-A1 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-09-02 US disclosed
WO-2010092180-A1 Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT GMBH & CO. KG (DE) 2010-08-19 WO disclosed
WO-2010092181-A1 HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 ABBOTT GMBH & CO. KG (DE) 2010-08-19 WO disclosed
EP-2178842-A2 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2010-04-28 EP disclosed
WO-2009121872-A2 TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2009-10-08 WO disclosed
WO-2009024611-A2 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2009-02-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170172993-A1 Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy AADAT, BCAT1, GFPT1 SMN1; SMN2 3724/4885TSHR 3516/4885ALDH1A1 929/4885
US-20110009378-A1 Heterocyclic compounds, pharmaceutical compositions containing them, and their use in therapy CYP11B2, CYP11B1, SLC10A1 SMN1; SMN2 2228/4885TSHR 2532/4885ALDH1A1 381/4885
US-20190290632-A1 Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy AADAT, BCAT1, GFPT1 SMN1; SMN2 3724/4885TSHR 3516/4885ALDH1A1 929/4885
US-20100273739-A1 Aminotetraline Derivatives, Pharmaceutical Composition, Containing Them, and Their Use in Therapy AADAT, GFPT1, BCAT1 SMN1; SMN2 3342/4885TSHR 2242/4885ALDH1A1 1487/4885
US-20190290645-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy SLC7A1, BCAT1, AADAT SMN1; SMN2 3648/4885TSHR 3561/4885ALDH1A1 968/4885
US-20100222346-A1 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY GDI2, GDI1, NQO2 SMN1; SMN2 3932/4885TSHR 4759/4885ALDH1A1 753/4885
US-20170173009-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy SLC7A1, BCAT1, AADAT SMN1; SMN2 3538/4885TSHR 3997/4885ALDH1A1 694/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.