SCHEMBL7400360

SCHEMBL7400360

COCCN1C(C)=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.64
CYP3A4 P08684 3/20 0.64
CYP2C9 P11712 3/20 0.64
CYP2C19 P33261 3/20 0.64
LMNA P02545 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
CYP2D6 P10635 2/20 0.64
TSHR P16473 2/20 0.64
NFKB1 P19838 2/20 0.64
MAPT P10636 2/20 0.64
THPO P40225 1/20 0.64
PYGM P11217 3/20 0.57
PYGL P06737 2/20 0.57
CACNA1F O60840 4/20 0.55
CACNA1D Q01668 4/20 0.55
CACNA1S Q13698 4/20 0.55
CACNA1C Q13936 4/20 0.55
ADORA3 P0DMS8 3/20 0.54
NR1I2 O75469 2/20 0.54

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
SCHEMBL29926641 1.00 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL7448031 1.00 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL20801670 0.92 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL10901945 0.87 CACNA1F (0.53) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL10900930 0.87 CACNA1F (0.53) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL10901934 0.87 CACNA1F (0.53) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL10900920 0.87 CACNA1F (0.53) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL8370860 0.85 MEN1 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL11688678 0.85 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL11688660 0.85 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115177585-A Nimodipine oral solution and preparation method thereof 浙江普利药业有限公司 2022-10-14 CN disclosed
US-20180098977-A1 SCALABLE MICROPARTICULATE FORMULATIONS CONTAINING POLYMORPHIC NIMODIPINE FORM 2 PREPARED BY A SOLVENT EVAPORATION PROCESS EDGE THERAPEUTICS, INC 2018-04-12 US disclosed
US-9914752-B2 Agonists of guanylate cyclase useful for the treatment of gastrointestinal disorders, inflammation, cancer and other disorders SYNERGY PHARMACEUTICALS, INC. (US) 2018-03-13 US disclosed
US-20160243188-A1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS, INFLAMMATION, CANCER AND OTHER DISORDERS JPMORGAN CHASE BANK, N.A. 2016-08-25 US disclosed
US-9399019-B2 Polymorph compositions, methods of making, and uses thereof EVONIK CORPORATION (US) 2016-07-26 US disclosed
US-20140271895-A1 Polymorph Compositions, Methods of Making, and Uses Thereof EDGE THERAPEUTICS, INC. (US) 2014-09-18 US disclosed
US-8821944-B1 Polymorph compositions, methods of making, and uses thereof EVONIK CORPORATION 2014-09-02 US disclosed
US-20130310328-A1 Agonists of Guanylate Cyclase Useful for the Treatment of Gastrointestinal Disorders, Inflammation, Cancer and Other Disorders BAUSCH HEALTH, CANADA INC. (CA) 2013-11-21 US disclosed
US-20130302431-A1 Polymorph Compositions, Methods of Making, and Uses Thereof EVONIK CORPORATION 2013-11-14 US disclosed
US-20020049155-A1 Cobalamin compounds useful as cardiovascular agents and as imaging agents HOGENKAMP HENRICUS P C (US) 2002-04-25 US disclosed
EP-0555302-A1 METHOD OF TREATING DEMYELINATING DISEASE THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-18 EP disclosed
WO-1992007564-A2 METHOD OF TREATING DEMYELINATING DISEASE THE WELLCOME FOUNDATION LIMITED (GB) 1992-05-14 WO disclosed
US-4504476-A Method of administering calcium channel blocking agents SCHWARTZ ARNOLD 1985-03-12 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 (4 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-20180098977-A1 SCALABLE MICROPARTICULATE FORMULATIONS CONTAINING POLYMORPHIC NIMODIPINE FORM 2 PREPARED BY A SOLVENT EVAPORATION PROCESS CACNA1B, NIM1K, SLC6A4 CYP1A2 470/4885CYP3A4 183/4885CYP2C9 550/4885
US-20020049155-A1 Cobalamin compounds useful as cardiovascular agents and as imaging agents APOB, MMAB, CBS CYP1A2 1311/4885CYP3A4 1154/4885CYP2C9 578/4885
US-20140271895-A1 Polymorph Compositions, Methods of Making, and Uses Thereof PGF, BDNF, PYGB CYP1A2 1222/4885CYP3A4 552/4885CYP2C9 1360/4885
US-20130302431-A1 Polymorph Compositions, Methods of Making, and Uses Thereof PGF, BDNF, PYGB CYP1A2 1222/4885CYP3A4 552/4885CYP2C9 1360/4885

“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.