SCHEMBL6011958

SCHEMBL6011958

CC(C1CCCCN1)S(=O)(=O)c1ccc(OCC#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 11/20 0.42
MMP13 P45452 3/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MMP9 P14780 2/20 0.37
MMP1 P03956 1/20 0.37
MMP8 P22894 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
SCHEMBL6011960 0.74 KMT2A (0.60) ADAM17MMP13SLC6A4MMP9MMP8
SCHEMBL1118041 0.67 CA12 (0.46) ADAM17MMP13MMP9MMP8
SCHEMBL5085943 0.65 SLC6A3 (0.48) SLC6A2SLC6A4SLC6A3MMP1
SCHEMBL6323515 0.64 SLC6A2 (0.45) MMP13SLC6A2SLC6A4SLC6A3MMP1
SCHEMBL6011648 0.64 SLC6A4 (0.42) ADAM17MMP13SLC6A2SLC6A4SLC6A3
SCHEMBL17889804 0.64 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6011657 0.64 SLC6A4 (0.41) ADAM17MMP13SLC6A2SLC6A4SLC6A3
SCHEMBL10951067 0.63 CA12 (0.42) ADAM17MMP13SLC6A4
SCHEMBL353884 0.62 SLC6A3 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL5717327 0.62 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3

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 ADAM17 2639/4885MMP13 2063/4885SLC6A2 2953/4885

“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.