SCHEMBL12697333

SCHEMBL12697333

Cc1cccc2c(Nc3cc(F)cc(F)c3)ncc(C(=O)NC(C)(C)C)c12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EIF2S1 P05198 1/20 0.45
EIF2AK3 Q9NZJ5 1/20 0.45
MAPT P10636 7/20 0.41
CNR2 P34972 1/20 0.40
SYK P43405 2/20 0.39
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
THRB P10828 1/20 0.37
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
EGFR P00533 1/20 0.36
BTK Q06187 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL12697399 0.93 LMNA (0.45) EIF2S1EIF2AK3MAPTCNR2SYK
SCHEMBL14554367 0.84 CNR2 (0.49) MAPTCNR2CYP1A2EGFR
SCHEMBL14486375 0.83 EIF2S1 (0.41) EIF2S1EIF2AK3MAPTCNR2TP53
SCHEMBL12476864 0.81 RXFP1 (0.48) EIF2S1EIF2AK3MAPTCNR2TP53
SCHEMBL14486074 0.80 HPGD (0.40) MAPTCNR2CYP1A2SMN1; SMN2MAPK1
SCHEMBL14486263 0.79 MAPK1 (0.39) MAPTCNR2TP53CYP1A2SMN1; SMN2
SCHEMBL12477220 0.79 CNR2 (0.52) MAPTCNR2KDM4EPOLBCYP1A2
SCHEMBL12476771 0.79 CNR2 (0.52) MAPTCNR2KDM4EPOLBCYP1A2
SCHEMBL3990586 0.79 CNR2 (0.52) EIF2S1EIF2AK3CNR2SYKCYP1A2
SCHEMBL12476791 0.78 CNR2 (0.53) MAPTCNR2KDM4EPOLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006442-B2 Cannabinoid receptor modulators LUPIN LIMITED (IN) 2015-04-14 US claimed
US-20130178457-A1 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-07-11 US claimed
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 EIF2S1 2524/4885EIF2AK3 3522/4885MAPT 2605/4885

“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.