SCHEMBL1787634

SCHEMBL1787634

NCc1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.54
CYP2D6 P10635 5/20 0.54
MLNR O43193 1/20 0.44
KDM2B Q8NHM5 2/20 0.43

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
Hydrochloric Acid SCHEMBL1786407 0.98 HRH3 (0.53) HRH3CYP2D6MLNRKDM2B
SCHEMBL1791493 0.88 HRH3 (0.52) HRH3CYP2D6MLNRKDM2B
SCHEMBL1790109 0.84 HRH3 (0.54) HRH3CYP2D6MLNRKDM2B
SCHEMBL12608380 0.82 HRH3 (0.52) HRH3CYP2D6MLNRKDM2B
SCHEMBL6856851 0.81 HRH3 (0.51) HRH3CYP2D6MLNR
SCHEMBL1790247 0.81 HRH3 (0.51) HRH3CYP2D6MLNRKDM2B
Hydrochloric Acid SCHEMBL2190542 0.80 HRH3 (0.50) HRH3CYP2D6MLNR
SCHEMBL4768314 0.79 HRH3 (0.56) HRH3CYP2D6
SCHEMBL1790555 0.79 HRH3 (0.49) HRH3CYP2D6KDM2B
Potassium Ion SCHEMBL1787639 0.79 HRH3 (0.49) HRH3CYP2D6MLNRKDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011083316-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 WO disclosed
US-20110172204-A1 COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
US-20110172204-A1 COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
US-20110172204-A1 COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
WO-2011083315-A1 COMPOUNDS AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 WO disclosed
WO-2011083314-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 WO disclosed
WO-2011083314-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 WO disclosed
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 (2 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 HRH3 2/4885CYP2D6 359/4885MLNR 1126/4885
US-20110172204-A1 COMPOUNDS AND THEIR USE HRH3, HRH4, HRH2 HRH3 1/4885CYP2D6 656/4885MLNR 211/4885

“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.