SCHEMBL5657494

SCHEMBL5657494

OCc1nccn1CC1CCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
PDE1C Q14123 6/20 0.35
CYP2B6 P20813 1/20 0.35
PDE1A P54750 4/20 0.35
PDE1B Q01064 4/20 0.35
OPRD1 P41143 1/20 0.34
BRD4 O60885 4/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
PIM1 P11309 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP11B2 P19099 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
SCHEMBL5655701 0.93 KCNH2 (0.40) KCNH2PDE1CPDE1APDE1BOPRD1
Hydrochloric Acid SCHEMBL5655405 0.81 PDE1C (0.35) KCNH2PDE1CCYP2B6PDE1APDE1B
SCHEMBL28800294 0.78 CYP2B6 (0.41) PDE1CCYP2B6PDE1APDE1BOPRD1
SCHEMBL10217022 0.76 KCNH2 (0.35) KCNH2ALDH1A1HTT
Hydrochloric Acid SCHEMBL5657275 0.74 BRD4 (0.34) KCNH2PDE1CBRD4HTTCYP11B2
SCHEMBL27726453 0.73 OPRD1 (0.40) PDE1CCYP2B6PDE1APDE1BOPRD1
SCHEMBL8026054 0.73
SCHEMBL5656605 0.72 BRD4 (0.40) KCNH2PDE1CCYP2B6PDE1APDE1B
SCHEMBL27747269 0.72 OPRD1 (0.38) PDE1CCYP2B6PDE1APDE1BOPRD1
SCHEMBL11000408 0.71 NPC1 (0.42) KCNH2PDE1CCYP2B6PDE1APDE1B

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 KCNH2 29/4885PDE1C 3107/4885CYP2B6 14/4885

“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.