SCHEMBL9515520

SCHEMBL9515520

CC(C)(C)CNc1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
GRM5 P41594 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
GAA P10253 2/20 0.44
EGFR P00533 1/20 0.43
ICMT O60725 2/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL30288237 0.85 GRM5 (0.42) GRM5MEN1KMT2AALDH1A1LMNA
SCHEMBL18585308 0.81 KMT2A (0.45) GRM5MEN1KMT2AALDH1A1LMNA
SCHEMBL12932880 0.79 ALDH1A1 (0.39) ALDH1A1LMNAMAPTGAAICMT
SCHEMBL13713553 0.78 MAPT (0.64) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL148749 0.78 EGFR (0.58) GRM5MEN1KMT2AALDH1A1LMNA
SCHEMBL10767128 0.77 ALDH1A1 (0.52) GRM5MEN1KMT2AALDH1A1LMNA
SCHEMBL11527837 0.77 MAPT (0.56) GRM5MEN1KMT2AALDH1A1LMNA
SCHEMBL12932866 0.77 ALDH1A1 (0.47) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL21800049 0.77 MAPT (0.47) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL12932896 0.77 CYP1A2 (0.38) MEN1KMT2AMAPTHTTEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784666-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 EP disclosed
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
EP-0355351-B1 Process for the preparation of amines BAYER AG (DE) 1993-11-10 EP disclosed
US-5011996-A Process for the preparation of amines BAYER AKTIENGESELLSCHAFT (DE) 1991-04-30 US disclosed
EP-0355351-A2 Process for the preparation of amines BAYER AG (DE) 1990-02-28 EP 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-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 CNR2 3071/4885GRM5 946/4885MEN1 1427/4885
US-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 CNR2 4641/4885GRM5 2561/4885MEN1 2635/4885

“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.