SCHEMBL4973444

SCHEMBL4973444

COc1ccc(S(=O)(=O)CCC2(C)CCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.49
MMP8 P22894 1/20 0.49
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MMP1 P03956 4/20 0.47
MMP3 P08254 2/20 0.43
MMP10 P09238 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL4978132 0.85 HTT (0.54) MMP13MMP8HTTNPSR1MMP1
SCHEMBL4974334 0.84 ALDH1A1 (0.35) MMP13
SCHEMBL4973448 0.72 PTGS2 (0.35) MMP13MMP8HTTNPSR1MMP1
SCHEMBL23329648 0.71 TDP1 (0.56) MMP13MMP8HTTNPSR1MMP1
SCHEMBL4195258 0.70 MMP13 (0.66) MMP13MMP8HTTNPSR1MMP1
SCHEMBL14284045 0.69 PTGS2 (0.39) HTTKMT2A
SCHEMBL6379006 0.69 MMP13 (0.64) MMP13MMP8HTTNPSR1MMP1
SCHEMBL4190555 0.69 HTT (0.67) MMP13MMP8HTTNPSR1MMP1
SCHEMBL7212113 0.69 MMP13 (0.80) MMP13MMP8HTTNPSR1MMP1
SCHEMBL4183847 0.69 MMP13 (0.64) MMP13MMP8HTTNPSR1MMP1

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 MMP13 2697/4885MMP8 517/4885HTT 4546/4885

“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.