SCHEMBL604897

SCHEMBL604897

CC(C)COC(=O)NCCO

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.54
CHRNB4 P30926 2/20 0.54
CHRNA3 P32297 2/20 0.54
CHRNA4 P43681 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
ACHE P22303 8/20 0.44
TSHR P16473 4/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
ALOX15 P16050 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL763280 0.88 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL8193146 0.86 ACHE (0.53) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL10749335 0.86 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL8186241 0.85 ACHE (0.56) SMN1; SMN2ALDH1A1LMNAACHEALOX15
SCHEMBL10619152 0.83 ACHE (0.46) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL8381807 0.83 SMN1; SMN2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL10120804 0.83 SMN1; SMN2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL604896 0.83 SMN1; SMN2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL603785 0.83 SMN1; SMN2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL1467635 0.82 SMN1; SMN2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023110932-A1 PESTICIDALLY ACTIVE THIOSEMICARBAZONE COMPOUNDS BASF SE (DE) 2023-06-22 WO disclosed
EP-4198023-A1 PESTICIDALLY ACTIVE THIOSEMICARBAZONE COMPOUNDS BASF SE (DE) 2023-06-21 EP 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
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
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
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
US-5158808-A Method of coating with a water borne composition UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1992-10-27 US disclosed
EP-0212380-B1 AQUEOUS HIGH SOLIDS COATING COMPOSITIONS UNION CARBIDE CORPORATION (US) 1990-09-19 EP disclosed
US-4792616-A Diaryl ethers HOFFMANN-LA ROCHE INC. (US) 1988-12-20 US disclosed
US-4677168-A Water borne high solids coating compositions UNION CARBIDE CORPORATION, 1987-06-30 US disclosed
EP-0211359-A1 High solids coating compositions UNION CARBIDE CORPORATION (US) 1987-02-25 EP disclosed
EP-0196112-A2 Aqueous high solids coating compositions UNION CARBIDE CORPORATION (US) 1986-10-01 EP disclosed
US-4582526-A Carbamic acid ester herbicides HOFFMANN-LA ROCHE INC. (US) 1986-04-15 US 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 (4 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 CHRNB2 1493/4885CHRNB4 2258/4885CHRNA3 1697/4885
US-20190290632-A1 Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy AADAT, BCAT1, GFPT1 CHRNB2 1493/4885CHRNB4 2258/4885CHRNA3 1697/4885
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 CHRNB2 2969/4885CHRNB4 3950/4885CHRNA3 2811/4885
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 CHRNB2 2684/4885CHRNB4 3642/4885CHRNA3 2522/4885

“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.