SCHEMBL5100221

SCHEMBL5100221

CCCc1cccc(CN2CCC(N3C(=O)Nc4ccccc4C3c3ccccc3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.44
OPRM1 P35372 1/20 0.44
CHRM3 P20309 10/20 0.41
CHRM2 P08172 9/20 0.41
DRD2 P14416 4/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 2/20 0.40
ACHE P22303 1/20 0.40
PARP1 P09874 2/20 0.39

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
SCHEMBL8570520 0.92 OPRL1 (0.45) OPRL1OPRM1CHRM3CHRM2DRD2
SCHEMBL29445321 0.89 OPRL1 (0.52) OPRL1OPRM1CHRM3CHRM2DRD2
SCHEMBL6168606 0.89 OPRL1 (0.52) OPRL1OPRM1CHRM3CHRM2DRD2
SCHEMBL8569557 0.88 CHRM2 (0.54) OPRL1OPRM1CHRM3CHRM2DRD2
SCHEMBL6164748 0.88 OPRL1 (0.44) OPRL1OPRM1CHRM3CHRM2DRD2
SCHEMBL6166931 0.88 CHRM3 (0.43) OPRL1OPRM1CHRM3CHRM2DRD2
SCHEMBL8564439 0.87 CHRM2 (0.55) OPRL1OPRM1CHRM3CHRM2DRD2
SCHEMBL5113815 0.86 FAAH (0.47) OPRL1OPRM1CHRM3CHRM2DRD2
SCHEMBL8571871 0.86 CHRM3 (0.54) OPRL1OPRM1CHRM3CHRM2DRD2
SCHEMBL8562946 0.86 CHRM3 (0.54) OPRL1OPRM1CHRM3CHRM2ACHE

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
US-7329665-B2 E. g., (+)-3-{1-[3-(2,2,2-trifluoroethoxy)benzyl]piperidin-4-yl}-4-phenyl-3,4dihydro-2(1H)-quinazolinone; pollakiuria and urinary incontinence; anticholinergic agents; selective antagonism of the M3 muscarinic receptor which depresses frequency of rhythmic bladder contractions; side effects reduction DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-02-12 US disclosed
EP-1424334-B1 QUINAZOLINONE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2007-10-24 EP disclosed
US-20050032819-A1 Quinazolinone derivative Sumitomo Pharma Co., Ltd. (JP) 2005-02-10 US disclosed
EP-1424334-A1 QUINAZOLINONE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-06-02 EP 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-20050032819-A1 Quinazolinone derivative CHRM1, CHRM2, CHRM3 OPRL1 88/4885OPRM1 27/4885CHRM3 3/4885

“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.