SCHEMBL4814130

SCHEMBL4814130

COC(=O)C1(c2cccc(C(F)(F)F)c2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.52
TSHR P16473 3/20 0.48
ALOX15 P16050 1/20 0.48
ATM Q13315 1/20 0.48
HSD11B1 P28845 1/20 0.46
MAPT P10636 1/20 0.45
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
STS P08842 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KCNA3 P22001 1/20 0.41
TGFBR1 P36897 1/20 0.41
SYK P43405 1/20 0.41
PDK2 Q15119 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
IDH1 O75874 1/20 0.41
IDH2 P48735 1/20 0.41
CYP2D6 P10635 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
SCHEMBL31382005 0.85 GPR119 (0.53) TACR1TSHRALOX15ATMHSD11B1
SCHEMBL31382358 0.84 TSHR (0.50) TACR1TSHRALOX15ATMHSD11B1
SCHEMBL31382470 0.84 TSHR (0.50) TACR1TSHRALOX15ATMHSD11B1
SCHEMBL13660794 0.84 TACR1 (0.56) TACR1TSHROPRM1OPRL1CYP2D6
SCHEMBL12894223 0.84 OPRM1 (0.50) OPRM1OPRL1KCNA3
SCHEMBL971790 0.84 TSHR (0.65) TACR1TSHRALOX15ATMHSD11B1
SCHEMBL10246238 0.81 TACR1 (0.53) TACR1TSHRALOX15ATMMAPT
SCHEMBL703109 0.81 TACR1 (0.61) TACR1TSHRALOX15ATMHSD11B1
SCHEMBL15701118 0.81 SLC6A4 (0.51) MAPTOPRM1OPRL1
SCHEMBL15807246 0.80 TACR1 (0.52) TACR1TSHRMAPTOPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468368-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2008-12-23 US disclosed
US-7294628-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-11-13 US disclosed
US-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2006-07-27 US disclosed
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-11 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 (2 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-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C2, NR3C1 TACR1 96/4885TSHR 64/4885ALOX15 2013/4885
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 TACR1 104/4885TSHR 192/4885ALOX15 1646/4885

“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.