Nifedipine

Nifedipine

SCHEMBL2156554

CCO.COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1S

The experimentally established mechanism targets of Nifedipine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C known ✓ Q13936 5/20 0.90
CACNA1F known ✓ O60840 2/20 0.90
CACNA1D known ✓ Q01668 2/20 0.90
CACNA1S known ✓ Q13698 2/20 0.90
ADORA3 P0DMS8 7/20 0.90
CYP1A2 P05177 7/20 0.90
CYP3A4 P08684 6/20 0.90
MAPT P10636 6/20 0.90
CYP2C9 P11712 6/20 0.90
CYP2C19 P33261 6/20 0.90
TSHR P16473 4/20 0.90
NFKB1 P19838 4/20 0.90
KMT2A Q03164 4/20 0.90
HIF1A Q16665 4/20 0.90
LMNA P02545 3/20 0.90
CYP2D6 P10635 3/20 0.90
ABCC4 O15439 2/20 0.90
ABCB11 O95342 2/20 0.90
ADORA2A P29274 2/20 0.90
ADORA1 P30542 2/20 0.90

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
Nifedipine SCHEMBL9322551 0.95 ADORA3 (0.90) ADORA3CYP1A2CYP3A4MAPTCYP2C9
Nifedipine SCHEMBL29349595 0.95 ADORA3 (1.00) ADORA3CYP1A2CYP3A4MAPTCYP2C9
Nifedipine SCHEMBL3968 0.95 ADORA3 (1.00) ADORA3CYP1A2CYP3A4MAPTCYP2C9
Nifedipine SCHEMBL1172946 0.95 ADORA3 (1.00) ADORA3CYP1A2CYP3A4MAPTCYP2C9
Nifedipine SCHEMBL5694031 0.94 ADORA3 (0.97) ADORA3CYP1A2CYP3A4MAPTCYP2C9
Nifedipine SCHEMBL8851397 0.94 ADORA3 (0.97) ADORA3CYP1A2CYP3A4MAPTCYP2C9
Nifedipine SCHEMBL27076589 0.94 ADORA3 (0.97) ADORA3CYP1A2CYP3A4MAPTCYP2C9
Nifedipine SCHEMBL3858071 0.94 ADORA3 (0.97) ADORA3CYP1A2CYP3A4MAPTCYP2C9
Nifedipine SCHEMBL8851402 0.94 ADORA3 (0.97) ADORA3CYP1A2CYP3A4MAPTCYP2C9
Nifedipine SCHEMBL27961697 0.94 ADORA3 (0.97) ADORA3CYP1A2CYP3A4MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240484-B1 PHARMACEUTICAL COMPOSITION AND ITS PREPARATION Burghart, Kurt, Dr. (DE) 1992-01-15 EP claimed
US-4869899-A AEROSOL FORMULATION FOR NIFEDIPINE BURGHART WALTER (AT) 1989-09-26 US claimed
CN-109010278-A A kind of preparation method of Nifedipine sustained-release preparation 刘丽 2018-12-18 CN disclosed
EP-2519261-B1 Oral liquid pharmaceutical composition of nifedipine REIG JOFRE S A LAB (ES) 2013-11-27 EP disclosed
US-20120289553-A1 ORAL LIQUID PHARMACEUTICAL COMPOSITION OF NIFEDIPINE LABORATORIO REIG JOFRE, S.A. (ES) 2012-11-15 US disclosed
EP-2519261-A1 ORAL LIQUID PHARMACEUTICAL COMPOSITION OF NIFEDIPINE Laboratorio Reig Jofre S.A. (ES) 2012-11-07 EP disclosed
WO-2011080246-A1 ORAL LIQUID PHARMACEUTICAL COMPOSITION OF NIFEDIPINE LABORATORIO REIG JOFRÉ, S.A. (ES) 2011-07-07 WO disclosed
US-4869899-A AEROSOL FORMULATION FOR NIFEDIPINE BURGHART WALTER (AT) 1989-09-26 US disclosed
US-4869899-A AEROSOL FORMULATION FOR NIFEDIPINE BURGHART WALTER (AT) 1989-09-26 US disclosed
WO-1987005211-A1 PHARMACEUTICAL PREPARATION AND PROCESS FOR PRODUCING THE SAME BURGHART KURT 1987-09-11 WO 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-20120289553-A1 ORAL LIQUID PHARMACEUTICAL COMPOSITION OF NIFEDIPINE CACNA1C, CACNA1D, CACNA1G CACNA1C 1/4885CACNA1F 4/4885CACNA1D 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.