SCHEMBL4980136

SCHEMBL4980136

CS(=O)(=O)c1ccc(CC2(O)CCNCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.40
FPR2 P25090 2/20 0.39
PROKR1 Q8TCW9 2/20 0.39
ENPP2 Q13822 2/20 0.39
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
GSR P00390 1/20 0.36
PNMT P11086 1/20 0.36
PTGS1 P23219 1/20 0.35

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
SCHEMBL4974262 0.79 ENPP2 (0.37) PTGS2ENPP2MMP2MMP9MMP8
SCHEMBL7298964 0.78 GAA (0.39)
SCHEMBL2989469 0.78 GRIN2B (0.46) FPR2PROKR1
Hydrochloric Acid SCHEMBL6207926 0.77 GRIN2B (0.45) FPR2PROKR1
Hydrochloric Acid SCHEMBL8163094 0.77 OPRL1 (0.41)
Hydrochloric Acid SCHEMBL22719124 0.77 FPR2 (0.42) PTGS2FPR2PROKR1ENPP2PNMT
SCHEMBL31044603 0.76 MAOB (0.53) MMP2MMP9MMP8
SCHEMBL8482910 0.76 GRIN2B (0.38) FPR2PROKR1
SCHEMBL3860603 0.75 KCNJ1 (0.49)
SCHEMBL336299 0.75 DRD2 (0.55) FPR2PROKR1MMP9

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
CN-101006057-A Novel piperidine/8-azabicyclo [3.2.1] octan derivatives as moduilators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2007-07-25 CN 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 PTGS2 1175/4885FPR2 250/4885PROKR1 200/4885

“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.