SCHEMBL2630679

SCHEMBL2630679

Nc1ccc(NC2CCC(O)CC2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.45
KIT P10721 2/20 0.43
FLT3 P36888 2/20 0.43
FFAR4 Q5NUL3 6/20 0.43
AR P10275 4/20 0.41
PIM1 P11309 1/20 0.41
CNR1 P21554 4/20 0.40
FFAR1 O14842 2/20 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
SCHEMBL15686371 0.85 CNR2 (0.55) CNR2KITFLT3FFAR4AR
SCHEMBL20274149 0.85 AR (0.53) CNR2FFAR4ARCNR1FFAR1
SCHEMBL946535 0.82 KDR (0.51) CNR2
SCHEMBL947373 0.82 KDR (0.51) CNR2
SCHEMBL946536 0.82 KDR (0.51) CNR2
SCHEMBL15177474 0.82 CNR2 (0.45) CNR2KITFLT3ARPIM1
SCHEMBL13158252 0.82 MAPK1 (0.45) CNR2FFAR4ARCNR1FFAR1
SCHEMBL945211 0.80 PIM1 (0.44) CNR2KITFLT3ARPIM1
SCHEMBL945523 0.80 PIM1 (0.44) CNR2KITFLT3ARPIM1
SCHEMBL945213 0.80 PIM1 (0.44) CNR2KITFLT3ARPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 US 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-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE ABCB11, ACHE, CMA1 CNR2 597/4885KIT 24/4885FLT3 1398/4885

“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.