SCHEMBL1792091

SCHEMBL1792091

O=C(NCc1ccc2c(c1)CCN(C1CCC1)CC2)C1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.48
ALDH1A1 P00352 6/20 0.45
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
KMT2A Q03164 2/20 0.43
CYP11B2 P19099 1/20 0.43
MAPT P10636 1/20 0.43
KDM2B Q8NHM5 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
AXL P30530 1/20 0.42
CYP2D6 P10635 2/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP7 P55210 1/20 0.40

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
SCHEMBL1788940 0.94 HRH3 (0.44) HRH3ALDH1A1ERCC1ERCC4CYP11B2
SCHEMBL1787766 0.88 HRH3 (0.46) HRH3ALDH1A1KMT2AKDM2BAXL
SCHEMBL1787765 0.88 HRH3 (0.46) HRH3ALDH1A1KMT2AKDM2BAXL
SCHEMBL1791740 0.88 HRH3 (0.46) HRH3ALDH1A1KMT2AKDM2BAXL
SCHEMBL1789551 0.87 HRH3 (0.47) HRH3ALDH1A1ERCC1ERCC4KDM2B
SCHEMBL1788128 0.85 ERCC1 (0.43) HRH3ALDH1A1ERCC1ERCC4KMT2A
SCHEMBL1788758 0.85 NPSR1 (0.44) HRH3ALDH1A1ERCC1ERCC4KMT2A
SCHEMBL1787605 0.85 HRH3 (0.41) HRH3ALDH1A1ERCC1ERCC4KDM2B
SCHEMBL1791976 0.85 HRH3 (0.58) HRH3ALDH1A1KMT2AMAPTCYP2D6
SCHEMBL1788649 0.84 HPGD (0.48) HRH3KMT2AHPGDCYP2D6GAA

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 2/4885ALDH1A1 1526/4885ERCC1 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.