SCHEMBL12697404

SCHEMBL12697404

Cc1cccc2c(Cl)ncc(CN3CCOCC3)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 5/20 0.52
PDCD1 Q15116 2/20 0.45
CD274 Q9NZQ7 2/20 0.45
METAP2 P50579 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PAX8 Q06710 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TNKS O95271 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CXCR4 P61073 1/20 0.41
HIF1A Q16665 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL12697395 0.87 KDM4E (0.44) PDCD1CD274METAP2NPC1RAB9A
SCHEMBL12476833 0.78 EGFR (0.47) CYP2A13PDCD1CD274RAB9AHTT
SCHEMBL14488202 0.76 CYP2A13 (0.43) CYP2A13PDCD1CD274L3MBTL1TNKS
SCHEMBL12476674 0.75 EGFR (0.47) CYP2A13PDCD1CD274
SCHEMBL13849993 0.74 CYP2A13 (0.71) CYP2A13L3MBTL1HTTRECQLALDH1A1
SCHEMBL12697384 0.73 PLAUR (0.53) HTTALDH1A1KDM4EKMT2AMEN1
SCHEMBL12697331 0.73 L3MBTL1 (0.48) NPC1L3MBTL1HTTALDH1A1KDM4E
SCHEMBL12697468 0.73 CNR2 (0.51) RAB9AHTTALDH1A1KMT2ALMNA
SCHEMBL28852963 0.70 CYP2A13 (0.75) CYP2A13ALDH1A1KDM4EKMT2AMEN1
SCHEMBL23714056 0.70 L3MBTL1 (0.59) CYP2A13METAP2NPC1RAB9APAX8

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 CYP2A13 564/4885PDCD1 4772/4885CD274 4593/4885

“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.