SCHEMBL6869840

SCHEMBL6869840

Cc1c(-c2ccc(F)cc2)nc(N(C)S)nc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 10/20 0.44
HMGCR P04035 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
PDE6D O43924 1/20 0.37
NR1I2 O75469 1/20 0.37
PDE4D Q08499 1/20 0.37
ABCC3 O15438 1/20 0.36
ABCC4 O15439 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SCN9A Q15858 1/20 0.34
AKT1 P31749 2/20 0.34

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
SCHEMBL10129494 0.88 GCGR (0.46) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL13637067 0.86 KDM5B (0.40) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL14045937 0.83 GCGR (0.54) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL14315362 0.82 ADORA1 (0.44) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL12617063 0.81 HMGCR (0.46) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL13010709 0.81 GCGR (0.43) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL431291 0.81 HMGCR (0.55) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL12288575 0.80 GCGR (0.40) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL15024879 0.79 GCGR (0.41) GCGRHMGCRALDH1A1CYP3A4PDE6D
SCHEMBL7913752 0.79 HMGCR (0.46) GCGRHMGCRALDH1A1CYP3A4PDE6D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011083495-A2 PROCESS FOR THE PREPARATION OF DIHYDROXY PROTECTED DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS MSN LABORATORIES LIMITED (IN) 2011-07-14 WO disclosed
US-20090275752-A1 Novel Process for Statins and its Pharmaceutically Acceptable Salts Thereof MSN LABORATORIES LIMITED (IN) 2009-11-05 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-20090275752-A1 Novel Process for Statins and its Pharmaceutically Acceptable Salts Thereof HMGCR, NPC1L1, PCSK9 GCGR 1528/4885HMGCR 1/4885ALDH1A1 1466/4885

“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.