SCHEMBL6002264

SCHEMBL6002264

O=C(O)CC(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 3/20 0.58
GABBR1 Q9UBS5 3/20 0.58
CYP2C9 P11712 3/20 0.58
LMNA P02545 3/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP3A4 P08684 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
NFKB1 P19838 1/20 0.58
DRD3 P35462 1/20 0.58
BLM P54132 1/20 0.58
CYP1A2 P05177 1/20 0.58
THRB P10828 1/20 0.58
TSHR P16473 1/20 0.58
HSD17B10 Q99714 1/20 0.57
CACNA2D1 P54289 4/20 0.55
CACNB1 Q02641 4/20 0.55
CACNA1B Q00975 3/20 0.55

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
SCHEMBL15614165 1.00 GABBR2 (0.58) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL3520190 0.94 GABBR2 (0.63) GABBR2GABBR1CYP2C9LMNACYP2D6
Hydrochloric Acid SCHEMBL11527826 0.92 GABBR2 (0.61) GABBR2GABBR1CYP2C9LMNACYP2D6
3,3-Diphenylpropanoic Acid SCHEMBL66473 0.87 GABBR2 (0.59) GABBR2GABBR1LMNACYP2D6CYP2C19
3,3-Diphenylpropanoic Acid SCHEMBL5283373 0.87 GABBR2 (0.59) GABBR2GABBR1LMNACYP2D6CYP2C19
3,3-Diphenylpropanoic Acid SCHEMBL28079326 0.85 GABBR2 (0.57) GABBR2GABBR1LMNACYP2D6CYP2C19
3,3-Diphenylpropanoic Acid SCHEMBL9100138 0.85 GABBR2 (0.57) GABBR2GABBR1LMNACYP2D6CYP2C19
3,3-Diphenylpropanoic Acid SCHEMBL5740483 0.85 GABBR2 (0.57) GABBR2GABBR1LMNACYP2D6CYP2C19
3,3-Diphenylpropanoic Acid SCHEMBL28079188 0.85 GABBR2 (0.57) GABBR2GABBR1LMNACYP2D6CYP2C19
SCHEMBL18228863 0.85 TACR1 (0.58) GABBR2GABBR1MEN1KMT2ACACNA2D1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3262026-B1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-03-18 EP disclosed
US-9980929-B2 Trifluoromethylpropanamide derivatives HOFFMAN-LA ROCHE INC. (US) 2018-05-29 US disclosed
US-20170348257-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-12-07 US disclosed
US-20060166984-A1 Amino substituted benzo(hetero)cyclic derivatives BASF AKTIENGESELLSCHAFT (DE) 2006-07-27 US disclosed
EP-1603395-A2 AMINO SUBSTITUTED BENZO(HETERO)CYCLIC DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2005-12-14 EP disclosed
WO-2004080170-A2 AMINO SUBSTITUTED BENZO(HETERO)CYCLIC DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-09-23 WO disclosed
CN-1024488-C Benzhydryl compounds as henbicide antidotes MONSANTO CO (US) 1994-05-18 CN disclosed
CN-87102879-A Benzhydryl compounds as herbicide antidotes 1987-10-28 CN 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 (2 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-20170348257-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES PRMT7, GFRA3, PRMT5 GABBR2 349/4885GABBR1 582/4885CYP2C9 430/4885
US-20060166984-A1 Amino substituted benzo(hetero)cyclic derivatives CBR3, L3MBTL3, BRS3 GABBR2 1010/4885GABBR1 1025/4885CYP2C9 3006/4885

“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.