SCHEMBL5113815

SCHEMBL5113815

CCCOc1cccc(CN2CCC(N3C(=O)Nc4ccccc4C3c3ccccc3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
CHRM3 P20309 2/20 0.45
CHRM2 P08172 1/20 0.45
DRD2 P14416 2/20 0.44
HTR1A P08908 1/20 0.44
HTR2B P41595 1/20 0.44
CCR8 P51685 3/20 0.43
DRD4 P21917 1/20 0.42
OPRM1 P35372 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
OPRL1 P41146 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL8571599 0.93 CHRM3 (0.46) FAAHCHRM3CHRM2DRD2HTR1A
SCHEMBL8565700 0.89 CHRM3 (0.56) CHRM3CHRM2DRD2CCR8DRD4
SCHEMBL5103283 0.87 CHRM3 (0.46) CHRM3CHRM2DRD2CCR8DRD4
SCHEMBL5100213 0.87 CHRM3 (0.45) FAAHCHRM3CHRM2DRD2CCR8
SCHEMBL5100221 0.86 OPRL1 (0.44) CHRM3CHRM2DRD2DRD4OPRM1
SCHEMBL8570520 0.86 OPRL1 (0.45) CHRM3CHRM2DRD2DRD4OPRM1
SCHEMBL8569665 0.86 CCR8 (0.46) CHRM3CHRM2DRD2CCR8DRD4
SCHEMBL8570359 0.85 CHRM3 (0.51) CHRM3CHRM2DRD2CCR8DRD4
Afacifenacin SCHEMBL1192029 0.85 CHRM3 (0.58) CHRM3CHRM2DRD2CCR8DRD4
Afacifenacin SCHEMBL29537778 0.85 CHRM3 (0.58) CHRM3CHRM2DRD2CCR8DRD4

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 FAAH 1810/4885CHRM3 3/4885CHRM2 2/4885

“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.