SCHEMBL1788937

SCHEMBL1788937

O=C(NCc1ccc2c(c1)CCN(C1CCC1)CC2)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.52
HPGD P15428 1/20 0.52
WDR5 P61964 1/20 0.52
NPC1 O15118 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ROCK2 O75116 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 1/20 0.47
DPP4 P27487 1/20 0.46
PREP P48147 1/20 0.46
FAP Q12884 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
HDAC3 O15379 1/20 0.44

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
SCHEMBL1790091 0.90 KMT2A (0.52) HRH3NPC1TSHRSMN1; SMN2DPP4
SCHEMBL1791072 0.88 LMNA (0.56) HRH3TSHRLMNASMN1; SMN2ROCK2
SCHEMBL1790516 0.88 LMNA (0.51) HRH3WDR5LMNAROCK2MAPK14
SCHEMBL1787344 0.87 HRH3 (0.47) HRH3PREPMAPK14
SCHEMBL1788918 0.86 LMNA (0.56) HRH3TSHRLMNASMN1; SMN2ROCK2
SCHEMBL12608471 0.85 WDR5 (0.51) HRH3WDR5LMNAHDAC1MAPK14
SCHEMBL1794007 0.85 HRH3 (0.45) HRH3WDR5MAPK14
SCHEMBL12608480 0.85 HRH3 (0.55) HRH3NPC1MAPK14
SCHEMBL1787922 0.85 HRH3 (0.47) HRH3MAPK14
SCHEMBL1789860 0.84 HRH3 (0.52) HRH3HPGDNPC1SMN1; SMN2

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 2/4885HPGD 1107/4885WDR5 1748/4885

“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.