SCHEMBL4542548

SCHEMBL4542548

CC(C)(C)OC(=O)N1CCC(CC(=O)O)(c2ccc(F)c(F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.49
ATM Q13315 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
RORC P51449 2/20 0.42
DPP4 P27487 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD11B1 P28845 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
CCR5 P51681 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MCHR1 Q99705 1/20 0.40
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 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
SCHEMBL4160740 0.91 TACR1 (0.48) TACR1ATMRORCDPP4GPR119
SCHEMBL4166875 0.91 TACR1 (0.48) TACR1ATMJAK2JAK1RORC
SCHEMBL4161607 0.89 PDE4A (0.47) TACR1ATMRORCGPR119TSHR
SCHEMBL13404311 0.88 TACR1 (0.48) TACR1ATMJAK2JAK1RORC
SCHEMBL4159626 0.87 HSD11B1 (0.56) TACR1ATMJAK2JAK1RORC
SCHEMBL10306241 0.85 MEN1 (0.49) TACR1ATMTSHRALOX15OPRD1
SCHEMBL31693832 0.85 TACR1 (0.53) TACR1ATMRORCGPR119TSHR
SCHEMBL4551945 0.85 TACR1 (0.53) TACR1ATMRORCGPR119TSHR
SCHEMBL4416844 0.85 TACR1 (0.48) TACR1ATMGPR119TSHRALOX15
SCHEMBL17078067 0.85 MEN1 (0.51) TACR1OPRD1OPRK1CCR5

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 3525/4885JAK2 1826/4885

“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.