SCHEMBL565981

SCHEMBL565981

CCCc1ccc(C(=O)O)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 11/20 0.58
MAPT P10636 1/20 0.54
P4HA1 P13674 2/20 0.52
P4HTM Q9NXG6 2/20 0.52
MIF P14174 1/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HCAR2 Q8TDS4 2/20 0.49
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48

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
SCHEMBL10663641 0.89 HCAR3 (0.56) HCAR3MAPTP4HA1P4HTMMIF
SCHEMBL10663476 0.88 HCAR3 (0.57) HCAR3MAPTNPC1TP53RAB9A
SCHEMBL16935001 0.87 HCAR3 (0.44) HCAR3MAPTNPC1TP53RAB9A
SCHEMBL10660563 0.86 RARB (0.58) HCAR3MAPTNPC1TP53RAB9A
SCHEMBL10658847 0.86 RARB (0.58) HCAR3MAPTNPC1TP53RAB9A
SCHEMBL10666643 0.86 RARB (0.58) HCAR3MAPTNPC1TP53RAB9A
SCHEMBL10661712 0.86 RARB (0.58) HCAR3MAPTNPC1TP53RAB9A
SCHEMBL344135 0.85 MAPT (0.58) HCAR3MAPTP4HA1P4HTMMIF
SCHEMBL29537517 0.84 NNMT (0.52) HCAR3SMN1; SMN2
SCHEMBL2691837 0.84 NNMT (0.52) HCAR3SMN1; 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 EP disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 US disclosed
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 US disclosed
EP-3187490-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 US disclosed
US-20160264596-A1 SUBSTITUTED BENZAMIDES HOFFMANN-LA ROCHE INC. 2016-09-15 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
EP-2516392-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-31 EP disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 WO disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 US disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
EP-0258430-A1 NEMATIC LIQUID CRYSTAL PHASES MERCK PATENT GmbH (DE) 1988-03-09 EP disclosed
WO-1987005316-A1 NEMATIC LIQUID CRYSTAL PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-09-11 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 (6 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-20160264596-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R HCAR3 287/4885MAPT 387/4885P4HA1 993/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R HCAR3 287/4885MAPT 387/4885P4HA1 993/4885
US-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 HCAR3 229/4885MAPT 4146/4885P4HA1 2920/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R HCAR3 287/4885MAPT 387/4885P4HA1 993/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R HCAR3 287/4885MAPT 387/4885P4HA1 993/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R HCAR3 287/4885MAPT 387/4885P4HA1 993/4885

“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.