Sugi Predict

Sugi Predict / Compounds / SCHEMBL9765743

SCHEMBL9765743

SCHEMBL9765743

CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1C Q13936 8/20 0.89
▸ CYP1A2 P05177 4/20 0.89
▸ CYP3A4 P08684 4/20 0.89
▸ CYP2D6 P10635 4/20 0.89
▸ CYP2C9 P11712 4/20 0.89
▸ CYP2C19 P33261 4/20 0.89
▸ LMNA P02545 3/20 0.89
▸ MAPT P10636 3/20 0.89
▸ TDP1 Q9NUW8 3/20 0.89
▸ TSHR P16473 3/20 0.89
▸ ADORA3 P0DMS8 3/20 0.89
▸ ADRA2A P08913 2/20 0.89
▸ ABCB1 P08183 2/20 0.89
▸ NPC1 O15118 1/20 0.89
▸ ABCC4 O15439 1/20 0.89
▸ ABCB11 O95342 1/20 0.89
▸ PGR P06401 1/20 0.89
▸ CHRM2 P08172 1/20 0.89
▸ HTR1A P08908 1/20 0.89
▸ CYP2C8 P10632 1/20 0.89

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 SCHEMBL9816755 0.99 LMNA (0.89) CACNA1CCYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL10554411 0.96 LMNA (0.93) CACNA1CCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21612661 0.95 CACNA1C (0.80) CACNA1CCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8215921 0.95 CACNA1C (0.89) CACNA1CCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11844936 0.95 CACNA1C (0.89) CACNA1CCYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL10774895 0.94 CYP1A2 (0.80) CACNA1CCYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL10774906 0.94 CYP1A2 (0.80) CACNA1CCYP1A2CYP3A4CYP2D6CYP2C9
Nicardipine SCHEMBL34279 0.94 CYP1A2 (1.00) CACNA1CCYP1A2CYP3A4CYP2D6CYP2C9
Nicardipine SCHEMBL34278 0.94 CYP1A2 (1.00) CACNA1CCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10747615 0.94 CACNA1C (0.87) CACNA1CCYP1A2CYP3A4CYP2D6CYP2C9

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 — — CN claimed
CN-111097050-A Composition comprising fatty acid or derivative thereof and phenylpyridine derivative 黄泳华 2020-05-05 — — CN claimed
CN-111712241-B Sigma-1 receptor agonist systolic blood pressure therapy 阿纳韦克斯生命科学公司 2024-02-13 — — CN disclosed
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 — — CN disclosed
CN-111097050-A Composition comprising fatty acid or derivative thereof and phenylpyridine derivative 黄泳华 2020-05-05 — — CN disclosed
US-7585978-B2 Processes of manufacturing substituted-1,4-dihydropyridines, improved aqueous solutions thereof, and processes of manufacturing the solutions NAVINTA LLC (US) 2009-09-08 — — US disclosed
US-7585978-B2 Processes of manufacturing substituted-1,4-dihydropyridines, improved aqueous solutions thereof, and processes of manufacturing the solutions NAVINTA LLC (US) 2009-09-08 — — US disclosed
US-20080125595-A1 Single step one pot process for making nicardipine hydrochloride from 3-nitro-benzaldehyde, methyl aminocrotonate, and N-benzyl-N-methylaminoethyl acetoacetate; aqueous, injectable isotonic solution of nicardipine hydrochloride, L-arginine, and a sugar alcohol NAVINTA LLC. 2008-05-29 — — US disclosed
US-20080125595-A1 Single step one pot process for making nicardipine hydrochloride from 3-nitro-benzaldehyde, methyl aminocrotonate, and N-benzyl-N-methylaminoethyl acetoacetate; aqueous, injectable isotonic solution of nicardipine hydrochloride, L-arginine, and a sugar alcohol NAVINTA LLC. 2008-05-29 — — US disclosed
US-4988717-A Optically active 1,4-dihydropyridine esters useful for treating circulatory illnesses BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 — — US disclosed
US-4849433-A The compound, (⃡)1,4-dihydro-2,6-dimethyl-4-(2'-nitrophenyl)-pyridine-3,5-dicarboxylic acid, methyl isobutyl ester, compositions containing same and a method for effecting coronary dilation BAYER AKTIENGESELLSCHAFT (DE) 1989-07-18 — — US disclosed
EP-0149475-A2 Medicaments for the treatment and prevention of liver damage YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1985-07-24 — — EP disclosed
US-4510310-A 1,4-Dihydro-2,6-dimethyl-4-(2'-chlorophenyl)-3,5-dicarboxylic acid,methyl or ethyl,trifluoroethyl ester BAYER AKTIENGESELLSCHAFT (DE) 1985-04-09 — — US disclosed
US-3985758-A 1,4-Dihydropyridine derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-10-12 — — US 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-20080125595-A1 Single step one pot process for making nicardipine hydrochloride from 3-nitro-benzaldehyde, methyl aminocrotonate, and N-benzyl-N-methylaminoethyl acetoacetate; aqueous, injectable isotonic solution of nicardipine hydrochloride, L-arginine, and a sugar alcohol ADH1C, PRMT1, SCN1B CACNA1C 11/4885CYP1A2 2304/4885CYP3A4 831/4885

“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.