SCHEMBL3602008

SCHEMBL3602008

CC(C)(C)OC(=O)N1CCC(Nc2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GPR119 Q8TDV5 8/20 0.54
THRB P10828 5/20 0.47
THRA P10827 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
LMNA P02545 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
VCAM1 P19320 1/20 0.45

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
SCHEMBL27680559 0.85 VCAM1 (0.48) MAPTHTTL3MBTL1THRBTHRA
SCHEMBL15363247 0.84 ALDH1A1 (0.59) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL18970133 0.83 ALDH1A1 (0.63) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4938080 0.83 ALDH1A1 (0.57) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL3869166 0.82 THRB (0.55) ALDH1A1MAPTGPR119THRBTHRA
SCHEMBL12041444 0.82 ALDH1A1 (0.56) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4445873 0.82 GPR119 (0.54) ALDH1A1MAPTGPR119LMNA
SCHEMBL4245049 0.82 GPR119 (0.71) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL382156 0.82 ALDH1A1 (0.58) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL2710342 0.81 ALDH1A1 (0.69) ALDH1A1MAPTNPC1MAPK1HTT

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-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
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 ALDH1A1 1094/4885MAPT 3920/4885NPC1 1063/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 ALDH1A1 586/4885MAPT 2915/4885NPC1 457/4885

“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.