SCHEMBL4801736

SCHEMBL4801736

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc2nonc12

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.85
CYP1A2 P05177 5/20 0.85
CYP3A4 P08684 5/20 0.85
CYP2C19 P33261 5/20 0.85
KMT2A Q03164 4/20 0.85
ADORA3 P0DMS8 4/20 0.85
CACNA1C Q13936 3/20 0.85
MEN1 O00255 3/20 0.85
ABCB11 O95342 3/20 0.85
CYP2D6 P10635 3/20 0.85
SCN5A Q14524 3/20 0.85
NR1I2 O75469 3/20 0.85
NR3C1 P04150 2/20 0.85
TBXA2R P21731 2/20 0.85
OPRK1 P41145 2/20 0.85
SLC6A3 Q01959 2/20 0.85
PDE4D Q08499 2/20 0.85
NPSR1 Q6W5P4 2/20 0.85
KCNH2 Q12809 2/20 0.85
MLNR O43193 1/20 0.85

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
SCHEMBL4801745 0.95 CYP2C9 (0.78) CYP2C9CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL10724135 0.95 CYP2C9 (0.78) CYP2C9CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL7343428 0.94 CYP2C9 (0.77) CYP2C9CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL11047581 0.94 CYP2C9 (0.77) CYP2C9CYP1A2CYP3A4CYP2C19KMT2A
(S)-Isradipine SCHEMBL34557 0.92 CYP2C9 (1.00) CYP2C9CYP1A2CYP3A4CYP2C19KMT2A
Isradipine SCHEMBL34555 0.92 CYP2C9 (1.00) CYP2C9CYP1A2CYP3A4CYP2C19KMT2A
(R)-Isradipine SCHEMBL34556 0.92 CYP2C9 (1.00) CYP2C9CYP1A2CYP3A4CYP2C19KMT2A
Isradipine SCHEMBL1172992 0.92 CYP2C9 (1.00) CYP2C9CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL7341259 0.91 CYP2C9 (0.73) CYP2C9CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL7341251 0.90 CYP2C9 (0.85) CYP2C9CYP1A2CYP3A4CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329756-B2 Process for the manufacture of Isradipine SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2008-02-12 US disclosed
US-7329756-B2 Process for the manufacture of Isradipine SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2008-02-12 US disclosed
US-7329756-B2 Process for the manufacture of Isradipine SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2008-02-12 US disclosed
US-20060167063-A1 Process for the manufacture of isradipine SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2006-07-27 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-20060167063-A1 Process for the manufacture of isradipine ACMSD, AASDHPPT, DDC CYP2C9 515/4885CYP1A2 832/4885CYP3A4 218/4885

“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.