SCHEMBL1787983

SCHEMBL1787983

O=C(Nc1ccccc1)c1ccc2c(c1)CCN(C1CCC1)CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.55
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
NFKB1 P19838 1/20 0.50
HTT P42858 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
KDM2B Q8NHM5 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP2D6 P10635 1/20 0.48
KDM4E B2RXH2 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NAMPT P43490 1/20 0.47
TMPRSS2 O15393 1/20 0.46

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
SCHEMBL4768623 0.86 RAB9A (0.58) HRH3NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4774628 0.85 TMPRSS2 (0.61) HRH3NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4768190 0.84 NPC1 (0.67) HRH3NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4774646 0.83 HRH3 (0.67) HRH3NPC1RAB9ASMN1; SMN2TP53
SCHEMBL1788806 0.82 HRH3 (0.54) HRH3NPC1RAB9ASMN1; SMN2TP53
SCHEMBL1790897 0.82 HRH3 (0.76) HRH3KDM2BL3MBTL1CYP2D6
SCHEMBL4770633 0.82 HRH3 (0.64) HRH3NPC1RAB9ASMN1; SMN2TP53
SCHEMBL1787354 0.82 ALDH1A1 (0.60) HRH3KDM2BCYP2D6
Trifluoroacetic Acid SCHEMBL4767916 0.81 TMPRSS2 (0.55) HRH3NPC1RAB9ASMN1; SMN2TP53
SCHEMBL3366233 0.81 NPC1 (0.72) NPC1RAB9ASMN1; SMN2TP53GAA

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 2/4885NPC1 1764/4885RAB9A 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.