SCHEMBL1790048

SCHEMBL1790048

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

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.51
CYP2D6 P10635 4/20 0.51
KDM2B Q8NHM5 2/20 0.46
MLNR O43193 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
SCHEMBL7949359 0.90 HRH3 (0.50) HRH3CYP2D6KDM2BMLNR
SCHEMBL1789971 0.88 HRH3 (0.60) HRH3CYP2D6KDM2B
SCHEMBL1790033 0.88 HRH3 (0.49) HRH3CYP2D6KDM2BMLNR
SCHEMBL1786946 0.87 HRH3 (0.47) HRH3CYP2D6KDM2BMLNR
SCHEMBL1791794 0.87 HRH3 (0.58) HRH3CYP2D6KDM2B
SCHEMBL1789810 0.87 HRH3 (0.48) HRH3CYP2D6KDM2BMLNR
SCHEMBL1789551 0.86 HRH3 (0.47) HRH3CYP2D6KDM2BMLNR
SCHEMBL1790236 0.86 HRH3 (0.47) HRH3CYP2D6KDM2BMLNR
SCHEMBL1788197 0.85 MEN1 (0.48) HRH3CYP2D6KDM2BMLNR
SCHEMBL1792064 0.84 HRH3 (0.47) HRH3CYP2D6KDM2BMLNR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011083316-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 WO disclosed
WO-2011083314-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 WO disclosed
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 HRH3 2/4885CYP2D6 359/4885KDM2B 1549/4885

“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.