SCHEMBL785694

SCHEMBL785694

COc1ccc(Cl)cc1NC(=O)N(C)C1CCc2ccc(C(=O)N(C)C3CCN(c4cc(C)nc(C)c4)CC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
GHSR Q92847 1/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.38
RBP4 P02753 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
IGF1R P08069 1/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL784619 0.91 F10 (0.43) F10ALDH1A1MAPTRAB9A
SCHEMBL785474 0.90 NPC1 (0.46) F10ALDH1A1CYP3A4CYP2C19MAPT
SCHEMBL785862 0.88 ALDH1A1 (0.42) F10ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL785449 0.87 F10 (0.41) F10CYP1A2CYP2C19MAPTKMT2A
SCHEMBL785958 0.86 F10 (0.38) F10RAB9A
SCHEMBL784125 0.86 F10 (0.41) F10RAB9A
SCHEMBL785210 0.85 USP30 (0.44) F10ALDH1A1MAPTKMT2AMEN1
SCHEMBL785369 0.84 F10 (0.38) F10GHSRKMT2ATSHR
SCHEMBL785819 0.83 TLR9 (0.37) F10POLBRAB9A
SCHEMBL785876 0.83 F10 (0.41) F10GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 (1 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 F10 524/4885ALDH1A1 1267/4885CYP1A2 1988/4885

“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.