SCHEMBL1790648

SCHEMBL1790648

O=C(C1CCC1)N1CCCC(C(O)Cc2ccc3c(c2)CCN(C2CCC2)CC3)C1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 4/20 0.46
HRH3 Q9Y5N1 13/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
CYP2D6 P10635 3/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7945042 0.87 KDM2B (0.41) KDM2BHRH3CYP2D6
SCHEMBL7945799 0.87 KDM2B (0.40) KDM2BHRH3CYP2D6
SCHEMBL1790651 0.85 HDAC6 (0.36) KDM2BHDAC6ALDH1A1
SCHEMBL1789057 0.80 HRH3 (0.43) KDM2BHRH3CYP2D6
SCHEMBL1791200 0.79 HRH3 (0.43) KDM2BHRH3CYP2D6
SCHEMBL1790607 0.78 KDM2B (0.41) KDM2BHRH3SMN1; SMN2CYP2D6HDAC6
SCHEMBL1790229 0.77 HRH3 (0.45) KDM2BHRH3CYP2D6
SCHEMBL1790080 0.74 KDM2B (0.41) KDM2BHRH3CYP2D6
SCHEMBL1786837 0.74 KDM2B (0.41) KDM2BHRH3CYP2D6
SCHEMBL1791303 0.73 KDM2B (0.44) KDM2BHRH3SMN1; SMN2CYP2D6HDAC6

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 KDM2B 1549/4885HRH3 2/4885SMN1; SMN2 4393/4885

“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.