SCHEMBL1789401

SCHEMBL1789401

O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MLNR O43193 15/20 0.74
CYP2D6 P10635 8/20 0.70
HTR2C P28335 3/20 0.60
HTR2B P41595 2/20 0.60
HTR6 P50406 1/20 0.55
PNMT P11086 1/20 0.50

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
SCHEMBL7855779 0.92 MLNR (0.63) MLNRCYP2D6HTR2CHTR2BPNMT
SCHEMBL12608373 0.81 HRH3 (0.51) MLNRCYP2D6HTR2CHTR6
SCHEMBL19990835 0.81 MLNR (0.51) MLNRCYP2D6HTR2CHTR2BHTR6
SCHEMBL12651580 0.80 MLNR (0.50) MLNRCYP2D6
SCHEMBL20097742 0.78 DRD1 (0.49) MLNRCYP2D6HTR2CHTR6
SCHEMBL19377471 0.77 MLNR (0.53) MLNRCYP2D6HTR2CHTR2BHTR6
SCHEMBL19377470 0.77 MLNR (0.53) MLNRCYP2D6HTR2CHTR2BHTR6
SCHEMBL7860146 0.76 MLNR (0.51) MLNRCYP2D6HTR2CHTR2BHTR6
SCHEMBL5455774 0.75 HTR2C (1.00) HTR2CHTR2BHTR6PNMT
SCHEMBL1787913 0.75 HRH3 (0.57) MLNRCYP2D6HTR6

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 4 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
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 MLNR 1126/4885CYP2D6 359/4885HTR2C 32/4885

“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.