SCHEMBL2374489

SCHEMBL2374489

CC(C)(C)OC(=O)C1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.47
HIF1A Q16665 1/20 0.41
CYP3A4 P08684 5/20 0.40
TSHR P16473 4/20 0.40
USP2 O75604 9/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 4/20 0.39
CYP1A2 P05177 2/20 0.39
STS P08842 1/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CYP2C9 P11712 5/20 0.38
FFAR4 Q5NUL3 1/20 0.37

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) TACR1HIF1ACYP3A4TSHRUSP2
SCHEMBL2374486 0.82 TACR1 (0.58) TACR1HIF1ATSHRCYP2D6STS
SCHEMBL3106923 0.80 TSHR (0.53) TSHR
SCHEMBL3104298 0.80 OPRM1 (0.50) TSHRALDH1A1
SCHEMBL654814 0.77 OPRM1 (0.50) TSHR
SCHEMBL28994342 0.77 MGLL (0.38) TACR1CYP3A4TSHRUSP2CYP2D6
SCHEMBL20769565 0.76 NOTUM (0.42) TACR1STS
SCHEMBL2924676 0.76 OPRM1 (0.54) TSHR
SCHEMBL5368096 0.76 S1PR2 (0.49) HIF1ACYP3A4TSHRUSP2HSD17B10
SCHEMBL20769572 0.74 TACR1 (0.34) TACR1STSFFAR4

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 1059/4885HIF1A 1841/4885CYP3A4 120/4885

“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.