SCHEMBL3436033

SCHEMBL3436033

COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCNCC2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.71
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
ADRA1A P35348 3/20 0.71
CYP1A2 P05177 3/20 0.71
CYP3A4 P08684 3/20 0.71
CYP2C9 P11712 3/20 0.71
CYP2C19 P33261 3/20 0.71
TDP1 Q9NUW8 3/20 0.71
ABCB1 P08183 2/20 0.71
ADRA2A P08913 2/20 0.71
ADORA3 P0DMS8 2/20 0.71
ADRA2B P18089 2/20 0.71
ADRA2C P18825 2/20 0.71
ADRA1D P25100 2/20 0.71
ADRA1B P35368 2/20 0.71
CYP2D6 P10635 2/20 0.71
TP53 P04637 1/20 0.71
CHRM2 P08172 1/20 0.71
HTR1A P08908 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
SCHEMBL3436021 0.95 MAPT (0.79) MAPTMEN1KMT2AADRA1ACYP1A2
SCHEMBL3434608 0.94 MAPT (0.76) MAPTMEN1KMT2AADRA1ACYP1A2
SCHEMBL10889767 0.91 MAPT (0.71) MAPTMEN1KMT2AADRA1ACYP1A2
SCHEMBL11682220 0.90 MAPT (0.70) MAPTMEN1KMT2AADRA1ACYP1A2
SCHEMBL7289675 0.89 ADRA1A (0.73) MAPTMEN1KMT2AADRA1ACYP1A2
SCHEMBL7436653 0.89 MAPT (0.73) MAPTMEN1KMT2AADRA1ACYP1A2
SCHEMBL10366027 0.88 ABCB1 (0.73) MAPTMEN1KMT2AADRA1ACYP1A2
SCHEMBL3435123 0.88 ADRA1A (0.68) MAPTMEN1KMT2AADRA1ACYP1A2
SCHEMBL9381507 0.88 ADRA1A (0.91) MAPTMEN1KMT2AADRA1ACYP1A2
SCHEMBL7343603 0.88 MAPT (0.70) MAPTMEN1KMT2AADRA1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163907-B2 Dihydropyridine calcium antagonist compounds, preparation methods, and medical uses thereof COSUNTER PHARMACEUTICAL COMPANY (CN) 2012-04-24 US disclosed
US-8163907-B2 Dihydropyridine calcium antagonist compounds, preparation methods, and medical uses thereof COSUNTER PHARMACEUTICAL COMPANY (CN) 2012-04-24 US disclosed
US-20110201811-A1 DIHYDROPYRIDINE CALCIUM ANTAGONIST COMPOUNDS, PREPARATION METHODS, AND MEDICAL USES THEREOF COSUNTER PHARMACEUTICAL COMPANY (CN) 2011-08-18 US disclosed
US-20110201811-A1 DIHYDROPYRIDINE CALCIUM ANTAGONIST COMPOUNDS, PREPARATION METHODS, AND MEDICAL USES THEREOF COSUNTER PHARMACEUTICAL COMPANY (CN) 2011-08-18 US disclosed
US-5137889-A Hypotensive agents; coronary vasodilators; calcium antagonists; antiinflammatory agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-08-11 US disclosed
US-5034395-A Hypotensive agents, carboxylated dihydropyridines OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0145434-A2 Novel dihydropyridine derivatives and process for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-06-19 EP 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-20110201811-A1 DIHYDROPYRIDINE CALCIUM ANTAGONIST COMPOUNDS, PREPARATION METHODS, AND MEDICAL USES THEREOF RYR1, CACNA1E, CACNA1C MAPT 3963/4885MEN1 434/4885KMT2A 3869/4885

“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.