SCHEMBL6011648

SCHEMBL6011648

N#CCOc1ccc(S(=O)(=O)CCC2CCNCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.42
SLC6A2 P23975 4/20 0.42
SLC6A3 Q01959 2/20 0.42
HTR3A P46098 1/20 0.41
KCNH2 Q12809 1/20 0.41
ADAM17 P78536 6/20 0.40
MMP13 P45452 3/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ITGB3 P05106 6/20 0.38
ITGA2B P08514 6/20 0.38
MMP1 P03956 1/20 0.37
ITGAV P06756 1/20 0.36
CHRM2 P08172 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
Hydrochloric Acid SCHEMBL6011657 0.99 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3HTR3AKCNH2
SCHEMBL6466874 0.84 GPR119 (0.55) ADAM17MMP13MMP1
SCHEMBL6011410 0.84 CHRM1 (0.43) SLC6A4SLC6A2SLC6A3HTR3AKCNH2
SCHEMBL7604882 0.83 CA12 (0.45) SLC6A4CHRM1CHRM3TDP1ITGB3
SCHEMBL6011358 0.80 GPR119 (0.43) ADAM17MMP13MMP2MMP9MMP8
SCHEMBL6011457 0.80 ALDH1A1 (0.51) SLC6A4ITGB3ITGA2BITGAVCHRM2
SCHEMBL6011960 0.80 KMT2A (0.60) SLC6A4ADAM17MMP13MMP2MMP9
SCHEMBL6469248 0.77 CHRM1 (0.45) SLC6A4CHRM1CHRM3ALDH1A1
SCHEMBL8555011 0.76 ALDH1A1 (0.51) CHRM1CHRM3ALDH1A1
SCHEMBL6011463 0.76 CHRM1 (0.44) MMP2MMP9MMP8CHRM1CHRM3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 ASTRAZENECA AB (SE) 2006-08-24 US 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-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 CCR5, CCR2, CCR1 SLC6A4 2570/4885SLC6A2 2953/4885SLC6A3 1787/4885

“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.