SCHEMBL1786584

SCHEMBL1786584

CC(C)CNC(=O)Cc1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
HRH3 Q9Y5N1 7/20 0.46
TACR1 P25103 6/20 0.44
CCR3 P51677 2/20 0.43
TRPV1 Q8NER1 3/20 0.43
CYP2D6 P10635 1/20 0.42
MLNR O43193 1/20 0.42

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
SCHEMBL1789591 0.85 HRH3 (0.56) HRH3CYP2D6MLNR
SCHEMBL1788197 0.82 MEN1 (0.48) HPGDHRH3CYP2D6MLNR
SCHEMBL12608382 0.81 HRH3 (0.51) HRH3CYP2D6MLNR
SCHEMBL1789810 0.80 HRH3 (0.48) HRH3CYP2D6MLNR
SCHEMBL1790555 0.78 HRH3 (0.49) HRH3CYP2D6
Potassium Ion SCHEMBL1787639 0.78 HRH3 (0.49) HRH3CYP2D6MLNR
SCHEMBL1790033 0.78 HRH3 (0.49) HRH3CYP2D6MLNR
SCHEMBL7949359 0.78 HRH3 (0.50) HRH3CYP2D6MLNR
SCHEMBL1788739 0.78 HRH3 (0.48) HRH3CYP2D6
SCHEMBL1786585 0.78 HPGD (0.46) HPGDTRPV1CYP2D6

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-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

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 HPGD 1107/4885HRH3 2/4885TACR1 95/4885

“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.