SCHEMBL5656587

SCHEMBL5656587

CCCn1ccnc1CCc1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

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
TLR8 Q9NR97 2/20 0.41
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA2A P29274 1/20 0.35

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
SCHEMBL5657590 0.81 RAB9A (0.40) NPC1GAARAB9ASMN1; SMN2TLR8
SCHEMBL5657907 0.79 TLR8 (0.39) RAB9AGFERTLR8ALDH1A1POLB
SCHEMBL4227889 0.78 ALDH1A1 (0.46) TLR8ALDH1A1POLBKMT2A
SCHEMBL7908694 0.78 ALDH1A1 (0.53) SMN1; SMN2TLR8AGTR1AGTR2ALDH1A1
SCHEMBL29136624 0.78 AGTR1 (0.57) TLR8AGTR1AGTR2HSP90AA1
SCHEMBL5653814 0.77 TLR8 (0.39) NPC1GAARAB9ATLR8ALDH1A1
SCHEMBL5656565 0.76 NPC1 (0.43) NPC1GAARAB9ASMN1; SMN2GFER
SCHEMBL5295930 0.76 AGTR1 (0.46) AGTR1AGTR2ADORA2AADORA1HSP90AA1
SCHEMBL4228222 0.75 ALDH1A1 (0.52) TLR8AGTR1AGTR2ALDH1A1POLB
SCHEMBL5655641 0.74 ALPG (0.42) NPC1RAB9AGFERTLR8MAOA

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.