SCHEMBL12475971

SCHEMBL12475971

Cc1cccc2c(Cl)ncc(C(=O)N3CCC3)c12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
CNR2 P34972 5/20 0.48
CNR1 P21554 2/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
PLAUR Q03405 1/20 0.40

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
SCHEMBL12697435 0.97 CNR2 (0.48) HTTCNR2CNR1ALDH1A1HPGD
SCHEMBL12697356 0.96 CNR2 (0.49) HTTCNR2CNR1ALDH1A1HPGD
SCHEMBL12697384 0.89 PLAUR (0.53) HTTCNR2CNR1ALDH1A1HPGD
SCHEMBL12476298 0.88 CNR2 (0.39) HTTCNR2CNR1ALDH1A1HPGD
SCHEMBL12476300 0.88 CNR2 (0.39) HTTCNR2CNR1ALDH1A1HPGD
SCHEMBL12476681 0.87 HPGD (0.39) HTTCNR2CNR1ALDH1A1HPGD
SCHEMBL12476822 0.84 SPR (0.42) CNR2CNR1LMNATP53PLAUR
SCHEMBL12476297 0.84 HCRTR1 (0.42) CNR2HPGD
SCHEMBL12697443 0.83 HPGD (0.52) HTTCNR2CNR1HPGDKMT2A
SCHEMBL12476985 0.83 VNN1 (0.43) CNR2CNR1ALDH1A1KMT2AMEN1

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 10 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-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
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-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
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 HTT 3052/4885CNR2 2/4885CNR1 1/4885

“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.