Nilvadipine

Nilvadipine

SCHEMBL6044973

COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1.COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1S

The experimentally established mechanism targets of Nilvadipine. 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
CACNA1F known ✓ O60840 2/20 0.60
CACNA1D known ✓ Q01668 2/20 0.60
CACNA1S known ✓ Q13698 2/20 0.60
CACNA1C known ✓ Q13936 2/20 0.60
ADORA3 P0DMS8 2/20 1.00
NR1I2 O75469 1/20 1.00
NR3C1 P04150 1/20 1.00
ABCB1 P08183 1/20 1.00
TBXA2R P21731 1/20 1.00
AGTR1 P30556 1/20 1.00
CCKBR P32239 1/20 1.00
PTGS2 P35354 1/20 1.00
PDE4D Q08499 1/20 1.00
SCN5A Q14524 1/20 1.00
SLC29A1 Q99808 1/20 1.00
MEN1 O00255 4/20 0.66
CYP1A2 P05177 4/20 0.66
CYP3A4 P08684 4/20 0.66
CYP2C9 P11712 4/20 0.66
CYP2C19 P33261 4/20 0.66

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
Nilvadipine SCHEMBL11913265 1.00 ADORA3 (1.00) ADORA3NR1I2NR3C1ABCB1TBXA2R
Nilvadipine SCHEMBL30875962 1.00 ADORA3 (1.00) ADORA3NR1I2NR3C1ABCB1TBXA2R
Nilvadipine SCHEMBL8004036 1.00 ADORA3 (1.00) ADORA3NR1I2NR3C1ABCB1TBXA2R
Nilvadipine SCHEMBL33730 1.00 ADORA3 (1.00) ADORA3NR1I2NR3C1ABCB1TBXA2R
Nilvadipine SCHEMBL33729 1.00 ADORA3 (1.00) ADORA3NR1I2NR3C1ABCB1TBXA2R
SCHEMBL7380227 0.94 ADORA3 (0.89) ADORA3NR1I2NR3C1ABCB1TBXA2R
Nilvadipine SCHEMBL8170123 0.94 ADORA3 (0.88) ADORA3NR1I2NR3C1ABCB1TBXA2R
Nilvadipine SCHEMBL1538947 0.93 ADORA3 (0.87) ADORA3NR1I2NR3C1ABCB1TBXA2R
Nilvadipine SCHEMBL7625807 0.93 ADORA3 (0.85) ADORA3NR1I2NR3C1ABCB1TBXA2R
SCHEMBL30357961 0.90 ADORA3 (0.81) ADORA3NR1I2NR3C1ABCB1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135506-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a calcium modulating agent for the treatment of pain, inflammation or inflammation mediated disorders PHARMACIA CORPORATION 2006-06-22 US disclosed
US-20050159403-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a calcium modulating agent for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-07-21 US disclosed
WO-2005018755-A2 MULTILAYER GOLF BALL TAYLORMADE-ADIDAS GOLF COMPANY (US) 2005-03-03 WO disclosed
WO-2002085468-A1 GOLF BALL WITH DUAL CORE AND POLYURETHANE COVER SPALDING SPORTS WORLDWIDE, INC. (US) 2002-10-31 WO disclosed
WO-2002056975-A1 GOLF BALL SPALDING SPORTS WORLDWIDE, INC. (US) 2002-07-25 WO disclosed
WO-2002002194-A1 MULTI-LAYER GOLF BALL WITH REACTION INJECTION MOLDED POLYURETHANE COMPONENT SPALDING SPORTS WORLDWIDE, INC. (US) 2002-01-10 WO disclosed
WO-2001068193-A2 MULTILAYER GOLF BALL WITH FILLED INNER LAYER HAVING DUAL CORE, LIQUID CORE, OR WOUND CORE SPALDING SPORTS WORLDWIDE, INC. (US) 2001-09-20 WO disclosed
WO-2001068192-A1 DISTANCE MULTI-LAYER GOLF BALL SPALDING SPORTS WORLDWIDE, INC. (US) 2001-09-20 WO disclosed
WO-2001052945-A1 IMPROVED MULTI-LAYER GOLF BALL SPALDING SPORTS WORLDWIDE, INC. (US) 2001-07-26 WO disclosed
WO-2001052943-A1 IMPROVED MULTI-LAYER GOLF BALL SPALDING SPORTS WORLDWIDE, INC. (US) 2001-07-26 WO disclosed
US-6159110-A Golf ball utilizing silicone materials SPALDING SPORTS WORLDWIDE, INC. 2000-12-12 US disclosed
US-6150470-A NEUTRALIZED ETHYLENE-(METH)ACRYLIC ACID POLYMER SPALDING SPORTS WORLDWIDE, INC. (US) 2000-11-21 US disclosed
US-6120393-A A COVER COMPRISING A HIGH ACID IONOMER RESIN INCLUDING A COPOLYMER OF >16% BY WEIGHT OF AN ALPHA, BETA-UNSATURATED CARBOXYLIC ACID AND AN ALPHA OLEFIN, OF WHICH ABOUT 10-90% OF THE CARBOXYL GROUPS OF THE COPOLYMER ARE NEUTRALIZED SPALDING SPORTS WORLDWIDE, INC. (US) 2000-09-19 US disclosed
US-6015356-A Golf ball and method of producing same LISCO, INC. (US) 2000-01-18 US disclosed
US-5971872-A Low spin golf ball LISCO, INC. 1999-10-26 US disclosed
US-5820489-A A SOFT DIENE POLYMER CORE AND A HIGH ACID IONOMER HARD COVER; REDUCING THE CORE WEIGHT WHILE INCREASING THE THICKNESS OF COVER FOR REDUCING THE BALL SPINNING LISCO, INC. (US) 1998-10-13 US disclosed
US-5803831-A MULTILAYER LISCO INC. (US) 1998-09-08 US disclosed
US-5733207-A DIENE POLYMER CORE, IONOMER COVERING LISCO, INC. (US) 1998-03-31 US disclosed
US-5368304-A Diene polymer coreswith ionomer coverings LISCO, INC. (US) 1994-11-29 US disclosed
US-5312857-A Ionomer resin of olefin and unsaturated monocarboxylic acid and metal stearate LISCO, INC. (US) 1994-05-17 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 (2 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-20060135506-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a calcium modulating agent for the treatment of pain, inflammation or inflammation mediated disorders PTGS2, PTGES2, PTGS1 CACNA1F 127/4885CACNA1D 140/4885CACNA1S 145/4885
US-20050159403-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a calcium modulating agent for the treatment of central nervous system damage PTGS2, PTGS1, PTGIS CACNA1F 67/4885CACNA1D 60/4885CACNA1S 52/4885

“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.