SCHEMBL1786878

SCHEMBL1786878

O=C(NCc1ccc2c(c1)CCN(C1CCOC1)CC2)c1ccc(N2CCC(F)C2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.46
KLK1 P06870 3/20 0.46
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CXCR3 P49682 3/20 0.42
DGAT2 Q96PD7 1/20 0.41
NPC1 O15118 3/20 0.41
HPGD P15428 3/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
NAMPT P43490 2/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 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
SCHEMBL1786875 1.00 KLKB1 (0.46) KLKB1KLK1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1787879 1.00 KLKB1 (0.46) KLKB1KLK1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1789392 0.90 ALDH1A1 (0.49) KLKB1KLK1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1788393 0.89 HRH3 (0.49) KLKB1KLK1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1787839 0.89 HRH3 (0.49) KLKB1KLK1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1787838 0.89 HRH3 (0.49) KLKB1KLK1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1786906 0.82 HRH3 (0.49) NAMPTPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1792073 0.82 HRH3 (0.50) KLKB1KLK1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1787761 0.82 ADRA1A (0.52) KLKB1KLK1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1790222 0.82 NAMPT (0.43) CXCR3DGAT2NAMPTPRKAB2PRKAG1

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 1 patent. 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

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 KLKB1 3739/4885KLK1 3121/4885RAB9A 2688/4885

“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.