SCHEMBL4241126

SCHEMBL4241126

Cc1cccc(O[C@@H](c2ccc(C(F)(F)F)cc2)C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.55
GPR119 Q8TDV5 5/20 0.48
MMP13 P45452 1/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TGFBR1 P36897 1/20 0.43
NR3C1 P04150 1/20 0.41
GRM5 P41594 1/20 0.41
HDAC4 P56524 1/20 0.41

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
SCHEMBL4241131 1.00 CCR5 (0.55) CCR5GPR119MMP13MAPTNPC1
SCHEMBL4240891 0.91 CCR5 (0.58) CCR5GPR119MMP13MAPTNPC1
SCHEMBL4244414 0.89 CCR5 (0.53) CCR5GPR119MAPTNPC1ALDH1A1
SCHEMBL4239850 0.86 GPR119 (0.48) CCR5GPR119MAPTNPC1ALDH1A1
SCHEMBL4236630 0.83 CCR5 (0.51) CCR5GPR119MMP13MAPTNPC1
SCHEMBL4236631 0.83 CCR5 (0.51) CCR5GPR119MMP13MAPTNPC1
SCHEMBL4236617 0.81 MAPT (0.41) CCR5GPR119MMP13MAPTNPC1
SCHEMBL4245272 0.81 CCR5 (0.44) CCR5GPR119MMP13MAPTNPC1
SCHEMBL4240590 0.79 CCR5 (0.48) CCR5GPR119MMP13MAPTNPC1
SCHEMBL4243472 0.79 GPR119 (0.47) CCR5GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CCR5 1/4885GPR119 207/4885MMP13 1839/4885

“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.