SCHEMBL4407248

SCHEMBL4407248

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.62
ATM Q13315 1/20 0.45
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
EPHX2 P34913 1/20 0.43
OPRM1 P35372 2/20 0.43
OPRL1 P41146 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
CCR2 P41597 1/20 0.43
CCR5 P51681 1/20 0.42
MAPT P10636 1/20 0.42
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
RORC P51449 1/20 0.41
SLC6A2 P23975 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
SCHEMBL703109 0.89 TACR1 (0.61) TACR1ATMTSHRALOX15OPRM1
SCHEMBL4551945 0.87 TACR1 (0.53) TACR1ATMTSHRALOX15OPRD1
SCHEMBL31693832 0.87 TACR1 (0.53) TACR1ATMTSHRALOX15OPRD1
SCHEMBL702100 0.85 TACR1 (0.57) TACR1ATMEPHX2CCR2CCR5
SCHEMBL19226428 0.85 TACR1 (0.60) TACR1ATMTSHRALOX15OPRD1
SCHEMBL4414050 0.85 CCR5 (0.53) TACR1ATMTSHRALOX15OPRD1
SCHEMBL13660794 0.83 TACR1 (0.56) TACR1TSHROPRM1OPRL1OPRD1
SCHEMBL700207 0.82 TACR1 (0.54) TACR1ATMALOX15EPHX2CCR5
SCHEMBL10246597 0.82 TACR1 (0.54) TACR1TSHREPHX2OPRM1OPRL1
SCHEMBL4157257 0.82 TACR1 (0.48) TACR1ATMTSHRALOX15OPRD1

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 3525/4885TSHR 40/4885

“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.