SCHEMBL1789797

SCHEMBL1789797

O=C(NCC1CCCC1)c1ccc2c(c1)CCN(C1=CC=C1)CC2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NAMPT P43490 5/20 0.45
HDAC6 Q9UBN7 5/20 0.45
PDGFRB P09619 1/20 0.44
KDR P35968 1/20 0.44
MLYCD O95822 1/20 0.44
CA2 P00918 1/20 0.43
POLB P06746 1/20 0.42
MMP13 P45452 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
ROCK2 O75116 1/20 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
SCHEMBL1789721 0.99 MEN1 (0.47) MEN1KMT2ANAMPTHDAC6PDGFRB
SCHEMBL1787713 0.90 SMYD3 (0.53) NAMPTHDAC6
SCHEMBL1790107 0.90 NAMPT (0.48) NAMPTKDM4EROCK2
SCHEMBL1788777 0.90 HRH3 (0.46) HDAC6ROCK2
SCHEMBL1791890 0.89 NAMPT (0.51) NAMPT
SCHEMBL1788544 0.89 SMYD3 (0.42) NAMPTHDAC6KDM4E
SCHEMBL1789736 0.87 KDM4E (0.46) MEN1KMT2ANAMPTHDAC6KDM4E
SCHEMBL1787579 0.86 NAMPT (0.49) NAMPT
SCHEMBL1789813 0.84 KMT2A (0.57) MEN1KMT2ANAMPTKDM4EALDH1A1
SCHEMBL3089521 0.84 HRH3 (0.52) HDAC6MMP13MAPK14

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 3 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
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 MEN1 2515/4885KMT2A 731/4885NAMPT 4540/4885

“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.