SCHEMBL7300924

SCHEMBL7300924

COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.82
MEN1 O00255 3/20 0.82
KMT2A Q03164 3/20 0.82
MAPT P10636 3/20 0.82
CYP1A2 P05177 2/20 0.82
CYP3A4 P08684 2/20 0.82
CYP2C9 P11712 2/20 0.82
CYP2C19 P33261 2/20 0.82
LMNA P02545 1/20 0.82
POLB P06746 1/20 0.82
MAPK1 P28482 1/20 0.82
GPR55 Q9Y2T6 1/20 0.82
CYP2D6 P10635 1/20 0.82
TSHR P16473 1/20 0.82
NFKB1 P19838 1/20 0.82
THPO P40225 1/20 0.82
CACNA1F O60840 7/20 0.77
CACNA1D Q01668 7/20 0.77
CACNA1S Q13698 7/20 0.77
CACNA1C Q13936 7/20 0.77

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
SCHEMBL7471250 0.96 CACNA1F (0.83) HIF1AMEN1KMT2AMAPTCYP1A2
Hydrochloric Acid SCHEMBL7475992 0.95 CACNA1F (0.82) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL7273298 0.94 MEN1 (0.76) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL10650021 0.94 HIF1A (0.79) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL9674179 0.94 MEN1 (0.81) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL9672384 0.93 CACNA1F (0.80) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL7280038 0.93 CACNA1F (0.90) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL9476417 0.93 MEN1 (0.84) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL9675670 0.92 CACNA1F (0.80) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL9672662 0.92 CACNA1F (0.80) HIF1AMEN1KMT2AMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0201558-A4 DIHYDROPYRIDIN-3,5-DICARBOXYLATES INCORPORATING ARYLOXYPROPANOLAMINE MOIETIES. BRISTOL MYERS CO (US) 1988-04-13 EP claimed
EP-0201558-A1 DIHYDROPYRIDIN-3,5-DICARBOXYLATES INCORPORATING ARYLOXYPROPANOLAMINE MOIETIES Bristol-Myers Squibb Company (US) 1986-11-20 EP claimed
WO-1986002640-A1 DIHYDROPYRIDIN-3,5-DICARBOXYLATES INCORPORATING ARYLOXYPROPANOLAMINE MOIETIES BRISTOL-MYERS COMPANY (US) 1986-05-09 WO claimed
US-20070142442-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 US disclosed
US-5258519-A FOR TREATMENT OF HYPERTENSION AND CARDIAC CONDITIONS GLAXO INC. (US) 1993-11-02 US disclosed
EP-0250725-B1 1,4-DIHYDROPYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1992-11-04 EP disclosed
US-5100892-A Hypotensive agents, congestive heart failure GLAXO INC. (US) 1992-03-31 US disclosed
US-5063239-A Cardiovascular disorders BAYER AKTIENGESELLSCHAFT (DE) 1991-11-05 US disclosed
US-4994476-A Hypotensive agents BRISTOL-MYERS COMPANY (US) 1991-02-19 US disclosed
US-4950676-A HYPOTENSIVE AGENTS, CALCIUM ANTAGONISTS, TREATMENT OF ANGINA PECTORIS, VASODILATION BAYER AKTIENGESELLSCHAFT (DE) 1990-08-21 US disclosed
US-4861782-A Certain 2h-benzo[a]quinolizin-2-yl-aminoalkyl esters of 1,4-dihydro-3,5-pyridinedicarboxylates useful for treating circulation disorders BAYER AKTIENGESELLSCHAFT (DE) 1989-08-29 US disclosed
EP-0320984-A2 1,4-Dihydropyridine derivatives FUJIREBIO INC. (JP) 1989-06-21 EP disclosed
US-4757080-A Pharmaceuticals HEUMANN PHARMA GMBH & CO. (DE) 1988-07-12 US disclosed
EP-0201558-A4 DIHYDROPYRIDIN-3,5-DICARBOXYLATES INCORPORATING ARYLOXYPROPANOLAMINE MOIETIES. BRISTOL MYERS CO (US) 1988-04-13 EP disclosed
EP-0250725-A1 1,4-Dihydropyridine derivatives, processes for their preparation and medicaments containing them HEUMANN PHARMA GMBH & CO (DE) 1988-01-07 EP disclosed
EP-0201558-A1 DIHYDROPYRIDIN-3,5-DICARBOXYLATES INCORPORATING ARYLOXYPROPANOLAMINE MOIETIES Bristol-Myers Squibb Company (US) 1986-11-20 EP disclosed
WO-1986002640-A1 DIHYDROPYRIDIN-3,5-DICARBOXYLATES INCORPORATING ARYLOXYPROPANOLAMINE MOIETIES BRISTOL-MYERS COMPANY (US) 1986-05-09 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-20070142442-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1C, CACNA1S, CACNA1B HIF1A 4473/4885MEN1 551/4885KMT2A 3486/4885

“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.