SCHEMBL2374486

SCHEMBL2374486

CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.58
STS P08842 1/20 0.49
TSHR P16473 3/20 0.46
ALOX15 P16050 1/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 1/20 0.45
CYP2D6 P10635 1/20 0.45
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
RORC P51449 1/20 0.41
HIF1A Q16665 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
ALDH1A1 P00352 1/20 0.41
P2RY14 Q15391 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
SCHEMBL16319663 0.83 AKR1C3 (0.49) TACR1TSHRCYP2D6AKR1C3AKR1C2
SCHEMBL2374489 0.82 TACR1 (0.47) TACR1STSTSHRCYP2D6HIF1A
SCHEMBL972474 0.80 TSHR (0.65) TACR1TSHRALOX15ATMAKR1C1
SCHEMBL396197 0.80 TSHR (0.53) TACR1TSHRALOX15ATMRORC
SCHEMBL28028621 0.80 TSHR (0.56) TACR1TSHRALOX15ATMMAPT
SCHEMBL29087370 0.79 TSHR (0.47) TACR1TSHRALOX15ATMAKR1C3
SCHEMBL12497627 0.79 TSHR (0.47) TACR1TSHRALOX15ATMAKR1C3
SCHEMBL30775714 0.78 TACR1 (0.44) TACR1STSMAPTRORCGPR119
SCHEMBL1969936 0.78 AKR1C3 (0.61) TACR1CYP2D6AKR1C3AKR1C2AKR1C1
SCHEMBL14541338 0.78 TACR1 (0.58) TACR1TSHRALOX15ATM

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
EP-2544684-B1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) JANSSEN PHARMACEUTICA NV (BE) 2014-12-24 EP disclosed
EP-2544684-A1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) Janssen Pharmaceutica, N.V. (BE) 2013-01-16 EP disclosed
US-20110224209-A1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-15 US disclosed
WO-2011112685-A1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) JANSSEN PHARMACEUTICA NV (BE) 2011-09-15 WO 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-20110224209-A1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) DPP4, DPP3, DPP7 TACR1 1059/4885STS 4013/4885TSHR 3327/4885

“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.