SCHEMBL1689503

SCHEMBL1689503

CC(C)(C)c1ccc(Sc2ccccc2OCCN2CCC[C@H]2C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 14/20 0.68
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
LTA4H P09960 2/20 0.43

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
SCHEMBL4343161 1.00 SLC6A9 (0.68) SLC6A9SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL4328746 0.90 SLC6A9 (0.68) SLC6A9SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL4328752 0.90 SLC6A9 (0.68) SLC6A9SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL4335567 0.88 SLC6A9 (0.72) SLC6A9SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL4335562 0.88 SLC6A9 (0.72) SLC6A9SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL4336393 0.87 SLC6A9 (0.80) SLC6A9SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL4336388 0.87 SLC6A9 (0.80) SLC6A9SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL4348210 0.83 SLC6A9 (0.79) SLC6A9SMN1; SMN2KDM4ELTA4H
SCHEMBL4348216 0.83 SLC6A9 (0.79) SLC6A9SMN1; SMN2KDM4ELTA4H
SCHEMBL10204257 0.82 SLC6A9 (0.45) SLC6A9SMN1; SMN2KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612068-B2 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2009-11-03 US claimed
US-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2006-10-19 US claimed
EP-1622868-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2006-02-08 EP claimed
WO-2004096761-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2004-11-11 WO claimed
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
US-20170172993-A1 Aminotetraline and aminoindane 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-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-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
EP-1871165-B1 METHOD OF TREATING SCHIZOPHRENIA PRODROME UNIV YALE (US) 2017-06-21 EP disclosed
US-9656955-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-23 US 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
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
US-7612068-B2 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2009-11-03 US disclosed
US-20090215842-A1 Method of Treating Schizophrenia Prodrome YALE UNIVERSITY (US) 2009-08-27 US disclosed
US-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2006-10-19 US disclosed
EP-1622868-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2006-02-08 EP disclosed
WO-2004096761-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2004-11-11 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 (8 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 SLC6A9 58/4885SMN1; SMN2 3724/4885KDM4E 3772/4885
US-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives TYR, TPST2, COMT SLC6A9 2305/4885SMN1; SMN2 1849/4885KDM4E 1025/4885
US-20190290632-A1 Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy AADAT, BCAT1, GFPT1 SLC6A9 58/4885SMN1; SMN2 3724/4885KDM4E 3772/4885
US-20100273739-A1 Aminotetraline Derivatives, Pharmaceutical Composition, Containing Them, and Their Use in Therapy AADAT, GFPT1, BCAT1 SLC6A9 23/4885SMN1; SMN2 3342/4885KDM4E 3317/4885
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 SLC6A9 189/4885SMN1; SMN2 3648/4885KDM4E 2901/4885
US-20100222346-A1 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY GDI2, GDI1, NQO2 SLC6A9 1796/4885SMN1; SMN2 3932/4885KDM4E 1221/4885
US-20090215842-A1 Method of Treating Schizophrenia Prodrome SLC18A2, GRIN1, GRIA1 SLC6A9 55/4885SMN1; SMN2 3330/4885KDM4E 4749/4885
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 SLC6A9 233/4885SMN1; SMN2 3538/4885KDM4E 2879/4885

“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.