SCHEMBL1790641

SCHEMBL1790641

O=C(NCc1ccc2c(c1)CCN(C1CC(F)C1)CC2)c1ccc(N2CCCC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 4/20 0.47
RAB9A P51151 3/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CXCR3 P49682 2/20 0.46
HRH3 Q9Y5N1 3/20 0.44
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
MAPK14 Q16539 1/20 0.43
KLKB1 P03952 2/20 0.42
KLK1 P06870 2/20 0.42
HPGDS O60760 2/20 0.42
MAPK8 P45983 3/20 0.41

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
SCHEMBL1790014 0.92 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDRAB9AMAPK1
SCHEMBL1791917 0.90 HRH3 (0.53) ALDH1A1SMN1; SMN2HPGDRAB9AMAPK1
SCHEMBL1789770 0.89 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDRAB9AMAPK1
SCHEMBL1788393 0.86 HRH3 (0.49) ALDH1A1SMN1; SMN2HPGDRAB9AMAPK1
SCHEMBL1787838 0.86 HRH3 (0.49) ALDH1A1SMN1; SMN2HPGDRAB9AMAPK1
SCHEMBL1787839 0.86 HRH3 (0.49) ALDH1A1SMN1; SMN2HPGDRAB9AMAPK1
SCHEMBL1789392 0.85 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HPGDRAB9AMAPK1
SCHEMBL2271409 0.85 HRH3 (0.50) ALDH1A1SMN1; SMN2HPGDRAB9AMAPK1
SCHEMBL1787761 0.83 ADRA1A (0.52) ALDH1A1SMN1; SMN2HPGDRAB9AMAPK1
SCHEMBL6860616 0.83 HRH3 (0.49) ALDH1A1SMN1; SMN2RAB9AMAPK1KDM4E

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 4 patents. 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
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

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 ALDH1A1 1526/4885SMN1; SMN2 4393/4885HPGD 1107/4885

“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.