Nimodipine

Nimodipine

SCHEMBL4530304

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

CACNA1CCACNA1DCACNA1FCACNA1SNR3C2

The experimentally established mechanism targets of Nimodipine. 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 9/20 0.82
CACNA1F known ✓ O60840 8/20 0.82
CACNA1D known ✓ Q01668 8/20 0.82
CACNA1S known ✓ Q13698 8/20 0.82
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
CYP1A2 P05177 4/20 1.00
CYP3A4 P08684 4/20 1.00
CYP2C9 P11712 4/20 1.00
CYP2C19 P33261 4/20 1.00
LMNA P02545 3/20 1.00
MAPT P10636 3/20 1.00
CYP2D6 P10635 2/20 1.00
TSHR P16473 2/20 1.00
NFKB1 P19838 2/20 1.00
THPO P40225 2/20 1.00
ADORA3 P0DMS8 2/20 0.72
MLNR O43193 1/20 0.71
NR1I2 O75469 1/20 0.71
CACNA1H O95180 1/20 0.71

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
Nimodipine SCHEMBL29382758 1.00 MEN1 (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2C9
Nimodipine SCHEMBL34041 1.00 MEN1 (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2C9
Nimodipine SCHEMBL30425942 1.00 MEN1 (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2C9
Nimodipine SCHEMBL8531069 1.00 MEN1 (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2C9
(S)-Nimodipine SCHEMBL34042 1.00 MEN1 (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2C9
Nimodipine SCHEMBL27757251 0.99 MEN1 (0.98) MEN1KMT2ACYP1A2CYP3A4CYP2C9
Nimodipine SCHEMBL27608151 0.99 MEN1 (0.98) MEN1KMT2ACYP1A2CYP3A4CYP2C9
Nimodipine SCHEMBL142534 0.99 MEN1 (0.98) MEN1KMT2ACYP1A2CYP3A4CYP2C9
Nimodipine SCHEMBL28487234 0.97 MEN1 (0.94) MEN1KMT2ACYP1A2CYP3A4CYP2C9
Nimodipine SCHEMBL26110731 0.97 MEN1 (0.94) MEN1KMT2ACYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108310234-A A kind of pharmaceutical composition for treating cognition dysfunction and preparation method thereof, preparation and application 昆药集团股份有限公司 2018-07-24 CN disclosed
CN-106138135-A Medicine for treatment of vascular cognitive disorder and preparation method thereof 四川省中医药科学院 2016-11-23 CN disclosed
CN-101398414-B Method for qualitatively screening 242 kinds of compounds by liquid phase chromatography-mass spectra at the same times CRIMINAL INVEST DEPT OF SHANGHAI POLICE STATION 2011-07-20 CN disclosed
CN-101398414-A Method for qualitatively screening 242 kinds of compounds by liquid phase chromatography-mass spectra at the same times CRIMINAL INVEST GENERAL UNIT O (CN) 2009-04-01 CN disclosed
US-20090030071-A1 Treatment of Cardiovascular Disease in Mexican Americans Using Nebivolol DEY PHARMA, L.P. (F/K/A DEY, L.P.) 2009-01-29 US disclosed
CN-1960781-A Therapeutic combination for treatment of alzheimers disease WARNER LAMBERT CO (US) 2007-05-09 CN disclosed
WO-2007012064-A2 PREVENTION AND TREATMENT OF HEARING DISORDERS CYPRESS BIOSCIENCE, INC. (US) 2007-01-25 WO disclosed
EP-1737539-A1 THERAPEUTIC COMBINATION FOR TREATMENT OF ALZHEIMERS DISEASE Warner-Lambert Company LLC (US) 2007-01-03 EP disclosed
WO-2005099823-A1 THERAPEUTIC COMBINATION FOR TREATMENT OF ALZHEIMERS DISEASE WARNER-LAMBERT COMPANY LLC (US) 2005-10-27 WO disclosed
US-5478848-A Inhibition of arthritis by L-type calcium channel antagonists nimodipine, nisoldipine and nifedipine BAYER CORPORATION (US) 1995-12-26 US disclosed
WO-1990011769-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND USES THEREOF CELLTECH LIMITED (GB) 1990-10-18 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-20090030071-A1 Treatment of Cardiovascular Disease in Mexican Americans Using Nebivolol ADRB3, ADRB1, ADRB2 CACNA1C 732/4885CACNA1F 466/4885CACNA1D 757/4885

“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.