SCHEMBL6011463

SCHEMBL6011463

Nc1ccc(S(=O)(=O)CCC2CCNCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
GAA P10253 1/20 0.43
KMT2A Q03164 2/20 0.40
EP300 Q09472 1/20 0.39
MMP2 P08253 4/20 0.38
MMP9 P14780 4/20 0.38
CNR2 P34972 2/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
NMT1 P30419 3/20 0.38
HTR6 P50406 3/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
MPO P05164 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTR1A P08908 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL6469248 0.86 CHRM1 (0.45) CHRM1CHRM3KMT2ACNR2NMT1
SCHEMBL8555011 0.84 ALDH1A1 (0.51) CHRM1CHRM3KMT2ACNR2NMT1
SCHEMBL6469254 0.84 CHRM1 (0.44) CHRM1CHRM3KMT2AMMP2MMP9
SCHEMBL6011372 0.84 CHRM1 (0.44) CHRM1CHRM3KMT2ACNR2NMT1
SCHEMBL6011594 0.84 CRBN (0.46) CHRM1CHRM3KMT2AMMP2MMP9
Hydrochloric Acid SCHEMBL6011621 0.83 CHRM1 (0.43) CHRM1CHRM3KMT2ACNR2NMT1
Hydrochloric Acid SCHEMBL5763987 0.83 CRBN (0.45) CHRM1CHRM3KMT2AMMP2MMP9
SCHEMBL6011550 0.82 CA2 (0.42) CHRM1CHRM3GAAKMT2ACYP2C9
SCHEMBL6011640 0.82 NMT1 (0.42) CHRM1CHRM3KMT2ACNR2NMT1
SCHEMBL6011410 0.82 CHRM1 (0.43) CHRM1CHRM3KMT2ACA2CA12

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 3 patents. 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
EP-1572650-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2005-09-14 EP disclosed
WO-2004056773-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2004-07-08 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-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 CCR5, CCR2, CCR1 CHRM1 45/4885CHRM3 47/4885GAA 4700/4885

“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.