SCHEMBL12477397

SCHEMBL12477397

Cc1cccc2c(Nc3cccc(Cl)c3)ncc(S(=O)(=O)N3CCOCC3)c12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.61
CNR1 P21554 4/20 0.51
CNR2 P34972 4/20 0.51
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
TP53 P04637 3/20 0.48
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.43
KCNA5 P22460 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL12477285 0.90 MAPT (0.60) MAPTCNR1CNR2TP53LMNA
SCHEMBL14554519 0.86 MAPT (0.62) MAPTCNR1CNR2CYP2C9CYP2C19
SCHEMBL12477010 0.84 CNR2 (0.49) MAPTCNR1CNR2TP53LMNA
SCHEMBL12697331 0.81 L3MBTL1 (0.48) MAPTCNR1CNR2LMNAGAA
SCHEMBL12476208 0.79 CNR2 (0.73) MAPTCNR1CNR2CYP3A4CYP2D6
SCHEMBL12477063 0.79 MAPT (0.42) MAPTTP53LMNA
SCHEMBL12697339 0.77 MAPT (0.51) MAPTCNR2TP53LMNA
SCHEMBL12476629 0.75 MAPT (0.43) MAPTCNR2CYP3A4TP53LMNA
SCHEMBL12697466 0.75 CYP11B1 (0.48) MAPTCNR1TP53GAAMAPK1
SCHEMBL12476889 0.73 CNR2 (0.69) MAPTCNR1CNR2CYP3A4CYP2D6

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-20130178457-A1 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-07-11 US claimed
WO-2013005168-A2 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-01-10 WO claimed
WO-2012090177-A2 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2012-07-05 WO 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-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

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 MAPT 2605/4885CNR1 1/4885CNR2 2/4885

“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.