SCHEMBL1787765

SCHEMBL1787765

O=C(NCc1ccc2c(c1)CCN(C1CCC1)CC2)C1CC(OC2CCOCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.46
CYP2D6 P10635 4/20 0.39
AXL P30530 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM2B Q8NHM5 2/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1787766 1.00 HRH3 (0.46) HRH3CYP2D6AXLALDH1A1KDM2B
SCHEMBL1791740 1.00 HRH3 (0.46) HRH3CYP2D6AXLALDH1A1KDM2B
SCHEMBL1792091 0.88 HRH3 (0.48) HRH3CYP2D6AXLALDH1A1KDM2B
SCHEMBL1788556 0.85 HRH3 (0.45) HRH3CYP2D6KDM2B
SCHEMBL1788940 0.84 HRH3 (0.44) HRH3CYP2D6AXLALDH1A1KDM2B
SCHEMBL1789551 0.84 HRH3 (0.47) HRH3CYP2D6ALDH1A1KDM2B
SCHEMBL1787768 0.84 ALDH1A1 (0.37) ALDH1A1GAAKMT2A
SCHEMBL1791976 0.78 HRH3 (0.58) HRH3CYP2D6ALDH1A1KMT2A
SCHEMBL7949457 0.77 HPGD (0.48) HRH3CYP2D6GAAKMT2A
SCHEMBL1788649 0.77 HPGD (0.48) HRH3CYP2D6GAAKMT2A

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
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
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 HRH3 2/4885CYP2D6 359/4885AXL 3933/4885

“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.