SCHEMBL4551945

SCHEMBL4551945

CC(C)(C)OC(=O)N1CCC(CC(=O)O)(c2cccc(F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.53
ATM Q13315 1/20 0.47
GPR119 Q8TDV5 1/20 0.46
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
CCR5 P51681 6/20 0.44
HSD11B1 P28845 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
USP30 Q70CQ3 1/20 0.41
RORC P51449 1/20 0.41
PTGDR2 Q9Y5Y4 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
SCHEMBL31693832 1.00 TACR1 (0.53) TACR1ATMGPR119TSHRALOX15
SCHEMBL701407 0.89 TACR1 (0.53) TACR1ATMGPR119TSHRALOX15
SCHEMBL2469527 0.88 TACR1 (0.52) TACR1ATMGPR119TSHRALOX15
SCHEMBL19226428 0.87 TACR1 (0.60) TACR1ATMGPR119TSHRALOX15
SCHEMBL4407248 0.87 TACR1 (0.62) TACR1ATMTSHRALOX15OPRD1
SCHEMBL4414050 0.87 CCR5 (0.53) TACR1ATMTSHRALOX15OPRD1
SCHEMBL4159626 0.86 HSD11B1 (0.56) TACR1ATMTSHRALOX15CCR5
SCHEMBL4542548 0.85 TACR1 (0.49) TACR1ATMGPR119TSHRALOX15
SCHEMBL701270 0.85 TACR1 (0.49) TACR1ATMGPR119TSHRALOX15
SCHEMBL2470882 0.84 TACR1 (0.48) TACR1ATMGPR119TSHRALOX15

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
EP-1558577-B1 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2009-12-30 EP disclosed
US-20060128752-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2006-06-15 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-20060128752-A1 Chemical compounds HTR7, NPSR1, TACR2 TACR1 6/4885ATM 3525/4885GPR119 125/4885

“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.