SCHEMBL5161271

SCHEMBL5161271

Cc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.49
USP30 Q70CQ3 3/20 0.47
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
RORC P51449 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
STS P08842 1/20 0.42

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
SCHEMBL21748713 1.00 GPR119 (0.49) GPR119USP30JAK2JAK1KDM4E
SCHEMBL21748714 1.00 GPR119 (0.49) GPR119USP30JAK2JAK1KDM4E
SCHEMBL21775336 1.00 GPR119 (0.49) GPR119USP30JAK2JAK1KDM4E
SCHEMBL21748600 0.86 GPR119 (0.48) GPR119USP30JAK2JAK1KDM4E
SCHEMBL21748693 0.86 GPR119 (0.50) GPR119USP30JAK2JAK1
SCHEMBL30783205 0.86 GPR119 (0.50) GPR119USP30JAK2JAK1
SCHEMBL21748690 0.86 GPR119 (0.50) GPR119USP30JAK2JAK1
SCHEMBL21775442 0.86 GPR119 (0.50) GPR119USP30JAK2JAK1
SCHEMBL5010481 0.85 GPR119 (0.50) GPR119USP30JAK2JAK1KDM4E
SCHEMBL5005902 0.85 GPR119 (0.50) GPR119USP30JAK2JAK1KDM4E

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 GPR119 522/4885USP30 3958/4885JAK2 823/4885

“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.