SCHEMBL133106

SCHEMBL133106

COC(=O)C1=C(C)NC(C)=C([N+](=O)[O-])C1c1ccccc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 1.00
ADORA3 P0DMS8 5/20 1.00
MAPT P10636 5/20 1.00
CACNA1C Q13936 5/20 1.00
CYP3A4 P08684 4/20 1.00
CYP2C9 P11712 4/20 1.00
CYP2C19 P33261 4/20 1.00
TSHR P16473 3/20 1.00
NFKB1 P19838 3/20 1.00
CYP2D6 P10635 2/20 1.00
KMT2A Q03164 2/20 1.00
MEN1 O00255 1/20 1.00
CACNA1F O60840 3/20 0.62
CACNA1D Q01668 3/20 0.62
CACNA1S Q13698 3/20 0.62
ABCC4 O15439 2/20 0.61
ABCB11 O95342 2/20 0.61
LMNA P02545 2/20 0.61
ADORA2A P29274 2/20 0.61
ADORA1 P30542 2/20 0.61

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
SCHEMBL718828 1.00 CYP1A2 (1.00) CYP1A2ADORA3MAPTCACNA1CCYP3A4
SCHEMBL2845539 1.00 CYP1A2 (1.00) CYP1A2ADORA3MAPTCACNA1CCYP3A4
SCHEMBL30897545 1.00 CYP1A2 (1.00) CYP1A2ADORA3MAPTCACNA1CCYP3A4
SCHEMBL29359402 1.00 CYP1A2 (1.00) CYP1A2ADORA3MAPTCACNA1CCYP3A4
SCHEMBL14612812 0.90 CYP1A2 (0.82) CYP1A2ADORA3MAPTCACNA1CCYP3A4
SCHEMBL7265346 0.89 CYP1A2 (0.80) CYP1A2ADORA3MAPTCACNA1CCYP3A4
SCHEMBL11369967 0.89 CYP1A2 (0.79) CYP1A2ADORA3MAPTCACNA1CCYP3A4
SCHEMBL11004406 0.89 CYP1A2 (0.79) CYP1A2ADORA3MAPTCACNA1CCYP3A4
SCHEMBL7272013 0.88 MAPT (0.79) CYP1A2ADORA3MAPTCACNA1CCYP3A4
SCHEMBL28830138 0.87 MAPT (0.78) CYP1A2ADORA3MAPTCACNA1CCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170065568-A1 METHODS AND COMPOUNDS FOR CALCIUM ION CHANNEL REGULATION DUKE UNIVERSITY 2017-03-09 US claimed
US-9539222-B2 Methods to inhibit intracellular growth of bacteria and to treat bacteria-mediated diseases AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-01-10 US claimed
US-20150209308-A1 METHODS TO INHIBIT INTRACELLULAR GROWTH OF BACTERIA AND TO TREAT BACTERIA-MEDIATED DISEASES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2015-07-30 US claimed
US-20140274905-A1 METHODS AND COMPOUNDS FOR CALCIUM ION CHANNEL REGULATION DUKE UNIVERSITY (US) 2014-09-18 US claimed
WO-2014039011-A1 METHODS TO INHIBIT INTRACELLULAR GROWTH OF BACTERIA AND TO TREAT BACTERIA-MEDIATED DISEASES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-03-13 WO claimed
US-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-27 US claimed
US-4764516-A Mixtures of optically active nitrodihydropyridines active on the circulatory system BAYER AKTIENGESELLSCHAFT (DE) 1988-08-16 US claimed
US-12263143-B2 Ionic channel modulation as a method for treating tumors through inflammasome activation INSTITUT PASTEUR DE MONTEVIDEO (UY) 2025-04-01 US disclosed
US-12194031-B2 Compounds for use in regulating follicle maturation AARHUS UNIVERSITET (DK) 2025-01-14 US disclosed
EP-4129285-B1 COMPOUNDS FOR USE IN REGULATING FOLLICLE MATURATION UNIV AARHUS (DK) 2024-11-20 EP disclosed
EP-4423254-A1 COMPOSITIONS AND METHODS FOR PROMOTING IN VITRO MATURATION OF CELLS Memorial Sloan Kettering Cancer Center (US) 2024-09-04 EP disclosed
US-20240279600-A1 COMPOSITIONS AND METHODS FOR PROMOTING IN VITRO MATURATION OF CELLS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2024-08-22 US disclosed
WO-2023076554-A9 COMPOSITIONS AND METHODS FOR PROMOTING IN VITRO MATURATION OF CELLS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2024-07-11 WO disclosed
US-4920225-A Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1990-04-24 US disclosed
US-4895855-A VASOCILATION BAYER AKTIENGESELLSCHAFT (DE) 1990-01-23 US disclosed
US-4764516-A Mixtures of optically active nitrodihydropyridines active on the circulatory system BAYER AKTIENGESELLSCHAFT (DE) 1988-08-16 US disclosed
EP-0273349-A2 Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1988-07-06 EP disclosed
EP-0240257-A2 Compounds and pharmaceutical preparations having calcium - regulatory activity University of Lancaster (GB) 1987-10-07 EP disclosed
US-4532248-A Administering 1,4-dihydropyridine derivative exhibiting positive inotropic activity BAYER AKTIENGESELLSCHAFT (DE) 1985-07-30 US disclosed
US-4248873-A Nitro-substituted 1,4-dihydropyridines, processes for _their production and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1981-02-03 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-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION IAPP, PNLIP, GPR119 CYP1A2 4857/4885ADORA3 2848/4885MAPT 2817/4885

“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.