SCHEMBL12697387

SCHEMBL12697387

Cc1cccc2c(Cl)ncc(C(=O)NC(C)(C)C)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
KDM4E B2RXH2 2/20 0.45
APEX1 P27695 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 2/20 0.36
SYK P43405 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
NPC1 O15118 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL12476366 0.80 HAVCR2 (0.46) KDM4EKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL14554367 0.80 CNR2 (0.49) MAPTCYP2D6NPC1RAB9A
SCHEMBL12477483 0.77 RAB9A (0.55) KDM4EKMT2AALDH1A1LMNANPC1
SCHEMBL12697333 0.76 EIF2S1 (0.45) POLBKDM4EMAPTSMN1; SMN2SYK
SCHEMBL12697399 0.75 LMNA (0.45) MAPTSMN1; SMN2SYKLMNANPC1
SCHEMBL12697435 0.73 CNR2 (0.48) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL12475971 0.73 HTT (0.50) POLBMEN1KMT2AALDH1A1TSHR
SCHEMBL12697364 0.73 CNR2 (0.56) CYP2D6
SCHEMBL12697356 0.72 CNR2 (0.49) POLBKDM4EMAPTMEN1KMT2A
SCHEMBL4766485 0.71 SYK (0.36) POLBAPEX1MAPTSMN1; SMN2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006442-B2 Cannabinoid receptor modulators LUPIN LIMITED (IN) 2015-04-14 US disclosed
US-9006442-B2 Cannabinoid receptor modulators LUPIN LIMITED (IN) 2015-04-14 US disclosed
US-20130178457-A1 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-07-11 US disclosed
US-20130178457-A1 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-07-11 US disclosed
WO-2013005168-A2 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-01-10 WO disclosed
WO-2012090177-A2 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2012-07-05 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-20130178457-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR18 POLB 4624/4885KDM4E 3238/4885APEX1 4751/4885

“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.