SCHEMBL5658931

SCHEMBL5658931

CCCn1ccnc1CC(=NO)c1ccc(N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
DRD4 P21917 3/20 0.33
ALPG P10696 2/20 0.33
PLAA Q9Y263 1/20 0.33
ALPL P05186 1/20 0.33
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 2/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RAB9A P51151 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL5658924 1.00 TLR8 (0.35) TLR8ADORA2AADORA1DRD4ALPG
SCHEMBL5658975 0.86 DRD4 (0.38) DRD4
SCHEMBL5658971 0.86 DRD4 (0.38) DRD4
SCHEMBL5657751 0.85 DRD4 (0.41) TLR8ADORA2AADORA1DRD4
SCHEMBL5657747 0.85 DRD4 (0.41) TLR8ADORA2AADORA1DRD4
SCHEMBL5655641 0.82 ALPG (0.42) TLR8ADORA2AADORA1DRD4ALPG
SCHEMBL5657763 0.77 TLR8 (0.35) TLR8ADORA2AADORA1KDM4ESMN1; SMN2
SCHEMBL5657337 0.77 TLR8 (0.35) TLR8ADORA2AADORA1KDM4ESMN1; SMN2
SCHEMBL5657334 0.77 TLR8 (0.35) TLR8ADORA2AADORA1KDM4ESMN1; SMN2
SCHEMBL5656587 0.72 NPC1 (0.43) TLR8ADORA2AADORA1DRD4SMN1; SMN2

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 TLR8 4213/4885ADORA2A 546/4885ADORA1 281/4885

“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.