SCHEMBL3248256

SCHEMBL3248256

O=C1NC(Cc2ccccc2)CN1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.54
CHRM2 P08172 12/20 0.54
CCR3 P51677 1/20 0.52
OPRL1 P41146 2/20 0.52
DRD2 P14416 4/20 0.50
DRD4 P21917 4/20 0.50
DRD3 P35462 4/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49

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
SCHEMBL3249080 0.82 GBA1 (0.49)
SCHEMBL4207989 0.82 CHRM3 (0.60) CHRM3CHRM2OPRL1DRD2DRD4
SCHEMBL13945986 0.82 CHRM3 (0.60) CHRM3CHRM2OPRL1DRD2DRD4
SCHEMBL13945982 0.79 OPRL1 (0.61) CHRM3CHRM2OPRL1DRD2DRD4
SCHEMBL13945985 0.79 OPRL1 (0.61) CHRM3CHRM2OPRL1DRD2DRD4
SCHEMBL13945988 0.76 CHRM2 (0.57) CHRM3CHRM2OPRL1DRD2DRD4
SCHEMBL3063295 0.75 CHRM3 (0.59) CHRM3CHRM2OPRL1DRD2DRD4
SCHEMBL13986105 0.74 HPGD (0.46) CYP2D6CYP2C9CYP2C19
SCHEMBL31437068 0.74 CHRM3 (0.61) CHRM3CHRM2OPRL1DRD2DRD4
SCHEMBL3262861 0.74 CHRM3 (0.54) CHRM3CHRM2CCR3OPRL1DRD2

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-1856100-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-05-05 EP disclosed
US-7632832-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-15 US disclosed
US-20080125413-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-05-29 US 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-20080125413-A1 Cgrp Receptor Antagonists CALCRL, NPY1R, CCKBR CHRM3 227/4885CHRM2 177/4885CCR3 599/4885

“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.