SCHEMBL12697392

SCHEMBL12697392

O=C(O)c1ccc(Nc2ccc(F)c(C(F)(F)F)c2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 4/20 0.54
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C1 Q04828 1/20 0.48
MPO P05164 5/20 0.45
GRM4 Q14833 1/20 0.45
CDC25B P30305 3/20 0.45
AR P10275 1/20 0.43
SLC22A12 Q96S37 1/20 0.42
GRIK1 P39086 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 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
SCHEMBL4245362 0.84 TAS2R14 (0.74) TAS2R14AKR1C3AKR1C2MPO
SCHEMBL12477213 0.82 SMO (0.44) TAS2R14GRM4
SCHEMBL12477066 0.81 EPHX2 (0.49)
SCHEMBL12697330 0.80 MPO (0.67) AKR1C3AKR1C2AKR1C4AKR1C1MPO
SCHEMBL12697327 0.78 AKR1C3 (0.60) TAS2R14AKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL12697328 0.77 AKR1C3 (0.52) TAS2R14AKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL14486544 0.76 AKR1C3 (0.60) AKR1C3AKR1C2AKR1C4AKR1C1CDC25B
SCHEMBL12697326 0.75 AKR1C3 (0.60) AKR1C3AKR1C2AKR1C4AKR1C1MPO
SCHEMBL14554749 0.74 TAS2R14 (0.43) TAS2R14GRM4AR
SCHEMBL12697329 0.73 MAPT (0.55) AKR1C3AKR1C2AKR1C4AKR1C1CDC25B

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 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-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 TAS2R14 879/4885AKR1C3 1154/4885AKR1C2 865/4885

“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.