SCHEMBL5656565

SCHEMBL5656565

CCCn1cnnc1CCc1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GFER P55789 1/20 0.42
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
CYP19A1 P11511 6/20 0.35
ADORA1 P30542 2/20 0.34
TMIGD3 P0DMS9 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
TLR8 Q9NR97 2/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL5655790 0.80 MEN1 (0.36) GAAMAOBMAOACYP19A1
SCHEMBL5279872 0.78 ADORA2A (0.33) ADORA1ADORA2AADORA2B
SCHEMBL5655116 0.77 TMIGD3 (0.42) SMN1; SMN2GFERMAOBMAOAADORA1
SCHEMBL6103303 0.77 NPC1 (0.36) NPC1GAARAB9ASMN1; SMN2CYP19A1
SCHEMBL5656587 0.76 NPC1 (0.43) NPC1GAARAB9ASMN1; SMN2GFER
SCHEMBL5655800 0.75 ALDH1A1 (0.38) SMN1; SMN2GFERCYP19A1ADORA1ADORA2A
SCHEMBL21558717 0.74 CYP19A1 (0.30) CYP19A1
SCHEMBL5280196 0.73 HSD11B1 (0.34) SMN1; SMN2ADORA1ADORA2AADORA2B
SCHEMBL5655112 0.72 MAPT (0.39) SMN1; SMN2GFERCYP19A1ADORA1ADORA2A
SCHEMBL5273283 0.70 ADORA2A (0.30) ADORA1ADORA2AADORA2B

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-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 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 (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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 NPC1 2059/4885GAA 2987/4885RAB9A 2546/4885

“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.