SCHEMBL1788940

SCHEMBL1788940

O=C(NCc1ccc2c(c1)CCN(C1CCC1)CC2)C1CCOC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.44
KDM2B Q8NHM5 2/20 0.41
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
CYP2D6 P10635 3/20 0.40
AXL P30530 1/20 0.39
ALDH1A1 P00352 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP7 P55210 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL1792091 0.94 HRH3 (0.48) HRH3KDM2BERCC1ERCC4CYP2D6
SCHEMBL1789551 0.85 HRH3 (0.47) HRH3KDM2BERCC1ERCC4CYP2D6
SCHEMBL1787765 0.84 HRH3 (0.46) HRH3KDM2BCYP2D6AXLALDH1A1
SCHEMBL1791740 0.84 HRH3 (0.46) HRH3KDM2BCYP2D6AXLALDH1A1
SCHEMBL1787766 0.84 HRH3 (0.46) HRH3KDM2BCYP2D6AXLALDH1A1
SCHEMBL1787605 0.83 HRH3 (0.41) HRH3KDM2BERCC1ERCC4CYP2D6
SCHEMBL1788649 0.82 HPGD (0.48) HRH3CYP2D6HPGD
SCHEMBL7949457 0.82 HPGD (0.48) HRH3CYP2D6HPGD
SCHEMBL7947913 0.82 HPGD (0.48) HRH3CYP2D6HPGD
SCHEMBL1791511 0.82 HRH3 (0.44) HRH3KDM2BERCC1ERCC4CYP2D6

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 HRH3 2/4885KDM2B 1549/4885ERCC1 3275/4885

“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.