SCHEMBL1779644

SCHEMBL1779644

OC1CCC(OCc2ccccc2)CC1c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.41
FFAR1 O14842 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
TACR1 P25103 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A9 P48067 1/20 0.37

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
SCHEMBL1780342 0.78 PPARG (0.38) FFAR1PPARGPPARATACR1GAA
SCHEMBL1138349 0.71 AR (0.64) MAPTSMN1; SMN2SLC6A9
SCHEMBL2773404 0.70 SLC18A3 (0.50) SLC18A3
SCHEMBL4665390 0.69 OPRK1 (0.44) GAAKMT2A
SCHEMBL1288244 0.66 SLC18A3 (0.48) SLC18A3
SCHEMBL12640946 0.66 SLC18A3 (0.48) SLC18A3
SCHEMBL20178569 0.66 SLC18A3 (0.48) SLC18A3
SCHEMBL19914171 0.66 SLC18A3 (0.48) SLC18A3
SCHEMBL23364751 0.66 CTSL (0.43) SLC18A3
SCHEMBL20869226 0.65 MAOA (0.48) SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507559-B2 Cyclohexenyl modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-13 US disclosed
EP-2318352-B1 CYCLOHEXENYL COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2012-12-19 EP disclosed
US-20110118354-A1 CYCLOHEXENYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 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-20110118354-A1 CYCLOHEXENYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 SLC18A3 2723/4885FFAR1 56/4885PPARG 605/4885

“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.