SCHEMBL1787839

SCHEMBL1787839

O=C(NCc1ccc2c(c1)CCN(C1CCC1)CC2)c1ccc(N2CCC(F)C2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.49
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 2/20 0.49
KLKB1 P03952 3/20 0.48
KLK1 P06870 2/20 0.48
CXCR3 P49682 2/20 0.47
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
ADRA1A P35348 1/20 0.43
DGAT2 Q96PD7 1/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL1787838 1.00 HRH3 (0.49) HRH3ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL1788393 1.00 HRH3 (0.49) HRH3ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL1792073 0.92 HRH3 (0.50) HRH3ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL1791917 0.90 HRH3 (0.53) HRH3ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL1788640 0.90 HRH3 (0.45) HRH3KLKB1KLK1CXCR3PRKAB2
SCHEMBL1787507 0.90 HRH3 (0.45) HRH3KLKB1KLK1CXCR3PRKAB2
SCHEMBL1787502 0.90 HRH3 (0.45) HRH3KLKB1KLK1CXCR3PRKAB2
SCHEMBL1786878 0.89 KLKB1 (0.46) HRH3ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL1787879 0.89 KLKB1 (0.46) HRH3ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL1786875 0.89 KLKB1 (0.46) HRH3ALDH1A1RAB9ASMN1; SMN2MAPK1

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 HRH3 2/4885ALDH1A1 1526/4885RAB9A 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.