SCHEMBL1787470

SCHEMBL1787470

CN1CCc2ccc(C(=O)NCc3ccccc3)cc2CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
ROCK2 O75116 4/20 0.54
CYP3A4 P08684 1/20 0.54
RAB9A P51151 3/20 0.54
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HPGD P15428 2/20 0.53
ROCK1 Q13464 1/20 0.53
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPK14 Q16539 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
HDAC2 Q92769 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
LMNA P02545 1/20 0.51

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 0.89 KDM4E (0.54) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL1980829 0.88 HDAC6 (0.53) ALDH1A1CYP3A4RAB9AKDM4ENPC1
SCHEMBL1787866 0.88 HRH3 (0.52) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL1787871 0.86 HRH3 (0.54) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL1786835 0.83 OPRM1 (0.54) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL1788806 0.83 HRH3 (0.54) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL1788808 0.83 RAB9A (0.48) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL1792319 0.83 RAB9A (0.48) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL1789634 0.83 HRH3 (0.57) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL1789738 0.83 SMN1; SMN2 (0.55) RAB9AKDM4ENPC1SMN1; SMN2MAPK14

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 ALDH1A1 1526/4885ROCK2 2377/4885CYP3A4 472/4885

“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.