SCHEMBL5100205

SCHEMBL5100205

CC(C)C1c2ccccc2NC(=O)N1C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.39
▸ NSD3 Q9BZ95 1/20 0.34
▸ PRKCG P05129 1/20 0.33
▸ PRKCB P05771 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ PRKCH P24723 1/20 0.33
▸ PRKCE Q02156 1/20 0.33
▸ PRKCZ Q05513 1/20 0.33
▸ PRKCD Q05655 1/20 0.33
▸ CAMK2B Q13554 1/20 0.33
▸ CAMK2G Q13555 1/20 0.33
▸ CAMK2D Q13557 1/20 0.33
▸ CAMK2A Q9UQM7 1/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP3A5 P20815 2/20 0.32
▸ CYP3A7 P24462 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32

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
SCHEMBL17803169 0.82 HTR2C (0.41) HTR2CNSD3PRKCGPRKCBPRKCA
SCHEMBL5113040 0.80 OPRL1 (0.50) OPRM1OPRL1
SCHEMBL5103372 0.77 SLC18A3 (0.40) HTR2CKDM1AALDH1A1HTR2A
Hydrochloric Acid SCHEMBL8571208 0.76 KDM1A (0.40) HTR2CKDM1AALDH1A1HTR2A
SCHEMBL6167647 0.74 SLC6A2 (0.38) HTR2CALDH1A1TP53HTR2A
SCHEMBL5103183 0.74 KMT2A (0.39) L3MBTL1
SCHEMBL17803191 0.74 KDM4E (0.35) HTR2CALDH1A1TP53IDO1
SCHEMBL3961473 0.73 EGFR (0.43) HTR2CALDH1A1IDO1
SCHEMBL2873256 0.72 BRD4 (0.38) ALDH1A1BRD4CREBBPIDO1
SCHEMBL17881599 0.71 HTR2C (0.43) HTR2CNSD3OPRM1KDM1ATP53

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
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
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 HTR2C 90/4885NSD3 1001/4885PRKCG 1495/4885

“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.

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