SCHEMBL1679522

SCHEMBL1679522

COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2C(=O)O)cc1Cl

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.79

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
SCHEMBL29567827 1.00 PDE5A (0.79) PDE5A
SCHEMBL1679525 1.00 PDE5A (0.79) PDE5A
SCHEMBL28412175 1.00 PDE5A (0.79) PDE5A
SCHEMBL28417910 0.94 PDE5A (0.71) PDE5A
SCHEMBL28417919 0.94 PDE5A (0.71) PDE5A
SCHEMBL5246859 0.93 PDE5A (0.79) PDE5A
SCHEMBL5246869 0.93 PDE5A (0.79) PDE5A
SCHEMBL21705353 0.93 PDE5A (0.78) PDE5A
SCHEMBL8487807 0.93 PDE5A (0.78) PDE5A
SCHEMBL5254442 0.92 PDE5A (0.77) PDE5A

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304585-A Preparation method of avanafil 江苏恒沛药物科技有限公司 2022-11-08 CN claimed
CN-111297868-A Use of a composition comprising a heterocyclic compound for the manufacture of a medicament for the treatment of phosphodiesterase mediated diseases 黄泳华 2020-06-19 CN claimed
CN-106496201-A A kind of preparation method of avanaphil crude drug 昆药集团股份有限公司 2017-03-15 CN claimed
WO-2015001567-A1 PROCESS FOR THE PREPARATION OF (S)-4-[(3-CHLORO-4-METHOXYBENZYL)AMINO]-2-[2- (HYDROXYMETHYL)-1-PYRROLIDINYL]-N-(2-PYRIMIDINYL METHYL-5-PYRIMIDINE CARBOXAMIDE MSN LABORATORIES PRIVATE LIMITED (IN) 2015-01-08 WO claimed
CN-115304585-A Preparation method of avanafil 江苏恒沛药物科技有限公司 2022-11-08 CN disclosed
CN-115304585-A Preparation method of avanafil 江苏恒沛药物科技有限公司 2022-11-08 CN disclosed
CN-111297868-A Use of a composition comprising a heterocyclic compound for the manufacture of a medicament for the treatment of phosphodiesterase mediated diseases 黄泳华 2020-06-19 CN disclosed
EP-2886540-B1 BICYCLIC SUBSTITUTED PYRIMIDINE COMPOUNDS XUANZHU PHARMA CO LTD (CN) 2017-07-26 EP disclosed
EP-2886540-B1 BICYCLIC SUBSTITUTED PYRIMIDINE COMPOUNDS XUANZHU PHARMA CO LTD (CN) 2017-07-26 EP disclosed
CN-106496201-A A kind of preparation method of avanaphil crude drug 昆药集团股份有限公司 2017-03-15 CN disclosed
US-9359371-B2 Bicyclic substituted pyrimidine compounds Xuanzhu Pharma Co., Ltd. (CN) 2016-06-07 US disclosed
US-9359371-B2 Bicyclic substituted pyrimidine compounds Xuanzhu Pharma Co., Ltd. (CN) 2016-06-07 US disclosed
US-20030229095-A1 Sexual disorders TANABE SEIYAKU CO., LTD. 2003-12-11 US disclosed
EP-1366760-A1 TABLETS QUICKLY DISINTEGRATED IN ORAL CAVITY TANABE SEIYAKU CO., LTD. (JP) 2003-12-03 EP disclosed
US-6656935-B2 Treatment of penile erectile dysfunction, pulmonary hypertension, and diabetic gastroparesis TANABE SEIYAKU CO., LTD. (JP) 2003-12-02 US disclosed
US-20030195220-A1 A tablet has an acid, with reduced solubility in the neutral and alkaline regions, is used for treating sexual disorders erectile dysfunction MITSUBISHI TANABE PHARMA CORPORATION (JP) 2003-10-16 US disclosed
EP-1316316-A1 PREPARATIONS FOR ORAL ADMINISTRATION TANABE SEIYAKU CO., LTD. (JP) 2003-06-04 EP disclosed
US-20030032647-A1 Treatment of penile erectile dysfunction, pulmonary hypertension, and diabetic gastroparesis MITSUBISHI TANABE PHARMA CORPORATION (JP) 2003-02-13 US disclosed
CN-1374953-A 6-membered aromatic ring compound containing nitrogen TANABE SEIYAKU CO (JP) 2002-10-16 CN disclosed
EP-1219609-A1 AROMATIC NITROGENOUS SIX-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2002-07-03 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 (3 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-20030032647-A1 Treatment of penile erectile dysfunction, pulmonary hypertension, and diabetic gastroparesis PDE3A, PDE3B, PDE2A PDE5A 4/4885
US-20030229095-A1 Sexual disorders PDE3B, PDE3A, PDE2A PDE5A 4/4885
US-20030195220-A1 A tablet has an acid, with reduced solubility in the neutral and alkaline regions, is used for treating sexual disorders erectile dysfunction PDE5A, PDE3A, PDE2A PDE5A 1/4885

“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.