SCHEMBL3606202

SCHEMBL3606202

CSc1ccc(Cc2noc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
THRB P10828 2/20 0.48
GAA P10253 1/20 0.48
EPHA2 P29317 1/20 0.44
KDR P35968 1/20 0.44
EPHB4 P54760 1/20 0.44
MAPT P10636 3/20 0.43
NAMPT P43490 1/20 0.41
GRM5 P41594 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL14514093 0.89 GPR119 (0.48) GPR119SMN1; SMN2THRBGAAEPHA2
SCHEMBL14514087 0.88 SMN1; SMN2 (0.49) GPR119SMN1; SMN2THRBGAAEPHA2
SCHEMBL3524161 0.87 ALDH1A1 (0.50) GPR119SMN1; SMN2THRBGAAEPHA2
SCHEMBL390685 0.87 NAMPT (0.53) GPR119SMN1; SMN2THRBGAAEPHA2
SCHEMBL19850408 0.87 EPHA2 (0.50) GPR119SMN1; SMN2THRBGAAEPHA2
SCHEMBL14514094 0.86 HDAC4 (0.46) GPR119SMN1; SMN2THRBGAAEPHA2
SCHEMBL3610721 0.86 TUBB4A (0.41) SMN1; SMN2GRM5
SCHEMBL3603800 0.86 GPR119 (0.58) GPR119
SCHEMBL14514085 0.85 GPR119 (0.48) GPR119SMN1; SMN2THRBGAAEPHA2
SCHEMBL5635025 0.83 GPR119 (0.53) GPR119SMN1; SMN2THRBGAAEPHA2

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 9 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-7294636-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-11-13 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
US-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-18 US disclosed
EP-1742934-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-01-17 EP disclosed
EP-1625120-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2006-02-15 EP disclosed
WO-2005101989-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2005-11-03 WO disclosed
WO-2004099178-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-18 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 (3 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 160/4885SMN1; SMN2 3570/4885THRB 631/4885
US-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis CCR5, CCR2, CX3CR1 GPR119 366/4885SMN1; SMN2 3999/4885THRB 648/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 GPR119 133/4885SMN1; SMN2 4083/4885THRB 783/4885

“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.