SCHEMBL3587019

SCHEMBL3587019

Cc1nc2ccncc2n1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.49
CCR5 P51681 4/20 0.48
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OGFRL1 Q5TC84 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL13743001 0.91 CCR5 (0.50) GPR119CCR5OPRM1OPRD1OGFRL1
SCHEMBL947135 0.85 LMNA (0.62) GPR119CCR5OPRM1OPRD1OGFRL1
SCHEMBL4134072 0.84 DYRK1A (0.53) CCR5LMNA
SCHEMBL27680555 0.83 LMNA (0.42) CCR5LMNA
SCHEMBL19689424 0.82 USP30 (0.48) GPR119CCR5OPRM1OPRD1OGFRL1
SCHEMBL3596413 0.79 HCAR1 (0.56) GPR119
SCHEMBL19972696 0.78 GPR119 (0.49) GPR119OPRM1OPRD1OGFRL1
SCHEMBL2854961 0.78 USP2 (0.69) CCR5
SCHEMBL4134368 0.78 CCR5 (0.54) CCR5LMNA
SCHEMBL3595341 0.77 GPR119 (0.58) GPR119LMNA

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
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
CN-1972923-A Piperidine derivatives as modulators of chemokine receptor ccr5 ASTRAZENECA AB (SE) 2007-05-30 CN disclosed
EP-1742934-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-01-17 EP disclosed
WO-2005101989-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2005-11-03 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 (2 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-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 CCR5, CCR2, CXCR3 GPR119 160/4885CCR5 1/4885OPRM1 24/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 GPR119 133/4885CCR5 1/4885OPRM1 15/4885

“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.