SCHEMBL7745159

SCHEMBL7745159

Cc1ccc2[nH]c(SCC(C)C)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
CYP1A2 P05177 3/20 0.57
CYP2D6 P10635 3/20 0.57
CYP2C9 P11712 3/20 0.57
CYP2C19 P33261 3/20 0.57
CYP2E1 P05181 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C8 P10632 2/20 0.57
CYP2B6 P20813 2/20 0.57
NPC1 O15118 3/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 6/20 0.43
GAA P10253 2/20 0.43
AR P10275 2/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL8366653 0.83 CYP1A2 (0.54) RAB9ASMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL10492869 0.80 HRH4 (0.52) RAB9ASMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL14311148 0.80 LMNA (0.57) RAB9ASMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL7745152 0.80 RAB9A (1.00) RAB9ASMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL15693610 0.79 RAB9A (0.64) RAB9ASMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL15693620 0.78 CYP1A2 (0.62) RAB9ASMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL10492786 0.78 MEN1 (0.64) RAB9ASMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL10492777 0.78 CYP1A2 (0.43) RAB9ASMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL10844608 0.78 AR (0.44) RAB9ASMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL4597359 0.77 ALDH1A1 (0.53) RAB9ASMN1; SMN2CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118334-A1 METHOD OF TREATMENT OF CARDIAC AND/OR RENAL FAILURE USING A CALCIUM CHANNEL BLOCKER AND AN ANGIOTENSIN CONVERTING ENZYME INHIBITOR OR AN ANGIOTENSIN II RECEPTOR BLOCKER DIAKRON PHARMACEUTICALS, INC. (US) 2009-05-07 US disclosed
US-7235570-B2 1,4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENTIFIC RESEARCH (IN) 2007-06-26 US disclosed
US-6852742-B2 1,4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2005-02-08 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-20090118334-A1 METHOD OF TREATMENT OF CARDIAC AND/OR RENAL FAILURE USING A CALCIUM CHANNEL BLOCKER AND AN ANGIOTENSIN CONVERTING ENZYME INHIBITOR OR AN ANGIOTENSIN II RECEPTOR BLOCKER AGTR2, ACE, AGTR1 RAB9A 2789/4885SMN1; SMN2 3210/4885CYP1A2 589/4885

“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.