SCHEMBL1786862

SCHEMBL1786862

COc1ccc(NC(=O)Cc2ccc3c(c2)CCN(C2CCC2)CC3)cn1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.61
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 3/20 0.52
NPC1 O15118 1/20 0.52
PKM P14618 1/20 0.52
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HRH1 P35367 1/20 0.48
CSF1R P07333 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 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
SCHEMBL1787828 0.85 HRH3 (0.52) HRH3HRH1
SCHEMBL1788595 0.84 HRH3 (0.53) HRH3SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1786865 0.81 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2ALMNANPC1
SCHEMBL1790056 0.81 HRH3 (0.55) HRH3SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1789838 0.80 HRH3 (0.61) HRH3LMNAHRH1
SCHEMBL1787924 0.78 HRH3 (0.48) HRH3HRH1
SCHEMBL1789591 0.78 HRH3 (0.56) HRH3LMNAHRH1ALDH1A1
SCHEMBL3087316 0.76 HRH3 (1.00) HRH3HRH1
SCHEMBL1789359 0.75 ALDH1A1 (0.43) HRH3SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3089524 0.74 HRH3 (0.81) HRH3HRH1

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 2/4885SMN1; SMN2 4393/4885MEN1 2515/4885

“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.