SCHEMBL5655641

SCHEMBL5655641

CCCn1ccnc1CC(=O)c1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 4/20 0.42
PLAA Q9Y263 2/20 0.42
CYP19A1 P11511 1/20 0.42
ALPL P05186 3/20 0.41
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL5658931 0.82 TLR8 (0.35) ALPGPLAAALPLADORA2AADORA1
SCHEMBL5658924 0.82 TLR8 (0.35) ALPGPLAAALPLADORA2AADORA1
SCHEMBL5658975 0.79 DRD4 (0.38) DRD2DRD4
SCHEMBL5658971 0.79 DRD4 (0.38) DRD2DRD4
SCHEMBL5657751 0.78 DRD4 (0.41) ADORA2AADORA1DRD2DRD4TLR8
SCHEMBL5657747 0.78 DRD4 (0.41) ADORA2AADORA1DRD2DRD4TLR8
SCHEMBL5655500 0.76 TLR8 (0.37) CYP19A1ADORA2AADORA1TLR8CYP1A2
SCHEMBL5656587 0.74 NPC1 (0.43) ADORA2AADORA1HTR1ADRD2DRD4
SCHEMBL5653814 0.72 TLR8 (0.39) ADORA2AADORA1TLR8CYP1A2CYP3A4
SCHEMBL5657907 0.72 TLR8 (0.39) ADORA2AADORA1TLR8CYP3A4TSHR

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 ALPG 3697/4885PLAA 4215/4885CYP19A1 86/4885

“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.