SCHEMBL5158474

SCHEMBL5158474

CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](c2ccc(F)c(F)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
PDE4B Q07343 7/20 0.45
TACR3 P29371 1/20 0.44
RORC P51449 1/20 0.44
GPR119 Q8TDV5 3/20 0.43
TRPV3 Q8NET8 1/20 0.43
TACR1 P25103 1/20 0.41
ALDH1A1 P00352 1/20 0.41
USP30 Q70CQ3 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
SCHEMBL5159291 1.00 DPP4 (0.47) DPP4PDE4BTACR3RORCGPR119
SCHEMBL31174316 0.91 DPP4 (0.47) DPP4PDE4BTACR3RORCGPR119
SCHEMBL31174300 0.91 DPP4 (0.47) DPP4PDE4BTACR3RORCGPR119
SCHEMBL19270998 0.89 PDE4B (0.50) DPP4PDE4BTACR3RORCTACR1
SCHEMBL27688526 0.87 RORC (0.49) PDE4BTACR3RORCGPR119TACR1
SCHEMBL4483553 0.87 RORC (0.49) PDE4BTACR3RORCGPR119TACR1
SCHEMBL4944424 0.87 RORC (0.49) PDE4BTACR3RORCGPR119TACR1
SCHEMBL4483563 0.87 RORC (0.49) PDE4BTACR3RORCGPR119TACR1
SCHEMBL4483556 0.87 RORC (0.49) PDE4BTACR3RORCGPR119TACR1
SCHEMBL3003926 0.85 PDE4B (0.53) DPP4PDE4BTACR3RORCGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 DPP4 505/4885PDE4B 1677/4885TACR3 4/4885

“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.