SCHEMBL3010002

SCHEMBL3010002

CC(C)(C)OC(=O)N1CCC(CO)C(c2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.54
TACR1 P25103 3/20 0.52
GPR119 Q8TDV5 3/20 0.51
PDE4B Q07343 1/20 0.50
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
USP30 Q70CQ3 3/20 0.48
USP7 Q93009 2/20 0.47
STS P08842 1/20 0.47
NAMPT P43490 1/20 0.43

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
SCHEMBL7906244 1.00 RORC (0.54) RORCTACR1GPR119PDE4BJAK2
SCHEMBL3010008 1.00 RORC (0.54) RORCTACR1GPR119PDE4BJAK2
SCHEMBL16108769 0.90 TACR1 (0.54) RORCTACR1GPR119PDE4BJAK2
SCHEMBL4710562 0.90 TACR1 (0.54) RORCTACR1GPR119PDE4BJAK2
SCHEMBL4709680 0.90 TACR1 (0.54) RORCTACR1GPR119PDE4BJAK2
SCHEMBL16141295 0.90 TACR1 (0.54) RORCTACR1GPR119PDE4BJAK2
SCHEMBL2343146 0.89 RORC (0.60) RORCTACR1GPR119PDE4BKDM4E
SCHEMBL4007683 0.89 RORC (0.60) RORCTACR1GPR119PDE4BKDM4E
SCHEMBL13809297 0.89 RORC (0.60) RORCTACR1GPR119PDE4BKDM4E
SCHEMBL4247036 0.89 RORC (0.60) RORCTACR1GPR119PDE4BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391615-B1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-01-16 EP disclosed
US-8324248-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
CN-102282139-A Piperidine derivatives as nk3 receptor antagonists 2011-12-14 CN disclosed
EP-2391615-A1 Piperidine derivatives as nk3 receptor antagonists F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20100197697-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 US disclosed
WO-2010086259-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 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-20100197697-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS OPRK1, OPRM1, OPRL1 RORC 1038/4885TACR1 13/4885GPR119 648/4885

“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.