SCHEMBL5103372

SCHEMBL5103372

O=C1Nc2ccccc2C(c2ccccc2)N1C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
TACR1 P25103 2/20 0.39
KDM1A O60341 3/20 0.38
CISD1 Q9NZ45 1/20 0.38
SLC6A2 P23975 1/20 0.38
MAOB P27338 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2C P28335 2/20 0.36
ATM Q13315 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRD1 P41143 1/20 0.35

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
Hydrochloric Acid SCHEMBL8571208 0.99 KDM1A (0.40) SLC18A3SIGMAR1TACR1KDM1ACISD1
SCHEMBL8568450 0.92 KDM1A (0.38) SLC18A3SIGMAR1TACR1KDM1ACISD1
SCHEMBL6167647 0.91 SLC6A2 (0.38) SLC6A2HTR2AHTR2CATMKMT2A
SCHEMBL8562015 0.85 TNKS (0.36) SLC18A3SIGMAR1KDM1AATMKMT2A
SCHEMBL8564042 0.84 CHRM2 (0.43) TACR1KDM1AMAOBATMKMT2A
SCHEMBL6168112 0.84 HTR2C (0.50) HTR2CKMT2AMEN1ALDH1A1
SCHEMBL8565402 0.82 HTR1A (0.40) SLC18A3SIGMAR1SLC6A2SLC6A4
SCHEMBL6168606 0.81 OPRL1 (0.52) KMT2AMEN1
SCHEMBL29445321 0.81 OPRL1 (0.52) KMT2AMEN1
SCHEMBL8564971 0.81 TACR1 (0.43) TACR1KMT2AMEN1ALDH1A1

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 12 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
CN-1307172-C Quinazolinone derivatives SUMITOMO PHARMA (JP) 2007-03-28 CN disclosed
EP-1122253-B1 QUINAZOLINONE DERIVATIVES SUMITOMO PHARMA (JP) 2005-08-17 EP disclosed
US-20050032819-A1 Quinazolinone derivative Sumitomo Pharma Co., Ltd. (JP) 2005-02-10 US disclosed
CN-1538966-A Quinazolinone derivatives ס����ҩ��ʽ���� 2004-10-20 CN disclosed
EP-1424334-A1 QUINAZOLINONE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-06-02 EP disclosed
US-6645971-B1 Pollakiuria and urinary incontinence treatment; muscarinic receptor antagonists; anticholinergic, anticonvulsants, antiulcer, and antiasthmatics; Parkinson*s disease SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2003-11-11 US disclosed
EP-1122253-A1 QUINAZOLINONE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-08-08 EP disclosed
EP-0626373-B1 Quinazolinone derivatives SUMITOMO PHARMA (JP) 1998-12-23 EP disclosed
US-5556860-A ANTIISCHEMIC AGENTS, BRAIN DISORDERS AND BLOOD METAL CONCENTRATIONS AND KIDNEY DISEASE SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1996-09-17 US disclosed
EP-0626373-A1 Quinazolinone derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-30 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 SLC18A3 144/4885SIGMAR1 600/4885TACR1 96/4885

“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.