SCHEMBL1786835

SCHEMBL1786835

O=C(NCc1ccccc1)c1ccc2c(c1)CCN(CC1CC1)CC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.54
OPRD1 P41143 2/20 0.54
OPRK1 P41145 2/20 0.54
HRH3 Q9Y5N1 2/20 0.54
CYP2D6 P10635 1/20 0.54
HRH1 P35367 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
HDAC3 O15379 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
MAPK14 Q16539 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL1790748 0.85 KDM4E (0.54) MEN1KMT2ASMN1; SMN2LMNARAB9A
SCHEMBL1787470 0.83 ALDH1A1 (0.56) KMT2ASMN1; SMN2LMNARAB9AKDM4E
SCHEMBL1980829 0.82 HDAC6 (0.53) CYP2D6MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL1787871 0.82 HRH3 (0.54) HRH3MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL1792319 0.82 RAB9A (0.48) SMN1; SMN2LMNARAB9AKDM4ENPC1
SCHEMBL1788806 0.82 HRH3 (0.54) HRH3CYP2D6MEN1KMT2ASMN1; SMN2
SCHEMBL1789634 0.82 HRH3 (0.57) HRH3CYP2D6HRH1SMN1; SMN2LMNA
SCHEMBL1787866 0.79 HRH3 (0.52) HRH3MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1788808 0.77 RAB9A (0.48) SMN1; SMN2LMNARAB9AKDM4ENPC1
Hydrochloric Acid SCHEMBL1789936 0.76 RAB9A (0.54) SMN1; SMN2LMNARAB9AKDM4ENPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326625-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2011-06-01 EP disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
WO-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 WO disclosed
WO-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 WO 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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS HRH4, HRH3, HRH2 OPRM1 7/4885OPRD1 8/4885OPRK1 10/4885

“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.