SCHEMBL10197625

SCHEMBL10197625

OCC1CNc2ccc(Br)cc2O1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.38
CA2 P00918 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
HTR2C P28335 1/20 0.33
AHR P35869 3/20 0.32
MAPT P10636 2/20 0.31
CASR P41180 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
BLM P54132 1/20 0.31
HTR1A P08908 2/20 0.31

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
SCHEMBL18302588 0.88 PNMT (0.41) PNMTCA2RXFP1AHRCASR
SCHEMBL18302585 0.88 PNMT (0.41) PNMTCA2RXFP1AHRCASR
SCHEMBL29134940 0.80 PARP10 (0.40) PNMTCA2RXFP1
SCHEMBL24699253 0.80 PARP10 (0.40) PNMTCA2RXFP1
SCHEMBL30015440 0.80 PARP10 (0.40) PNMTCA2RXFP1
SCHEMBL6969139 0.78 HTR1A (0.48) HTR2CMAPTHTR1A
SCHEMBL3969660 0.77 CASR (0.47) CASRHTTHTR1A
SCHEMBL8570483 0.77 CASR (0.47) CASRHTTHTR1A
SCHEMBL17055870 0.76 PNMT (0.40) PNMTCA2RXFP1AHR
SCHEMBL18209131 0.76 PNMT (0.40) PNMTCA2RXFP1AHR

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-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 US disclosed
US-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 US disclosed
WO-2010107768-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-09-23 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-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT PNMT 1168/4885CA2 3545/4885RXFP1 3939/4885

“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.