SCHEMBL4979176

SCHEMBL4979176

Cn1ccnc1CC1(O)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
NAMPT P43490 6/20 0.42
GPR119 Q8TDV5 8/20 0.41
POLB P06746 1/20 0.40
ACHE P22303 1/20 0.39
FAAH O00519 1/20 0.38

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
SCHEMBL23802375 0.88 FDPS (0.40) OPRD1OPRK1NAMPTGPR119POLB
SCHEMBL4978208 0.82 FDPS (0.38)
SCHEMBL3257474 0.80 OPRD1 (0.52) OPRD1OPRK1NAMPTGPR119POLB
SCHEMBL23802498 0.80 OPRD1 (0.38) OPRD1OPRK1NAMPTGPR119POLB
SCHEMBL2731871 0.79 GPR119 (0.45) OPRD1OPRK1GPR119POLBACHE
SCHEMBL1088021 0.79 CYP46A1 (0.54) OPRD1OPRK1GPR119POLB
SCHEMBL23802374 0.79 OPRD1 (0.37) OPRD1OPRK1NAMPTGPR119POLB
SCHEMBL30585014 0.79 CYP46A1 (0.54) OPRD1OPRK1GPR119POLB
SCHEMBL25133817 0.77 GPR119 (0.53) OPRD1OPRK1NAMPTGPR119
SCHEMBL3258235 0.76 OPRD1 (0.50) OPRD1OPRK1NAMPTGPR119POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 US disclosed
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 US disclosed
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 US disclosed
EP-1761491-A1 NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-03-14 EP disclosed
WO-2006001752-A1 NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2006-01-05 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-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 CCR5, CXCR1, CCR2 OPRD1 30/4885OPRK1 51/4885NAMPT 2455/4885

“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.