SCHEMBL5121908

SCHEMBL5121908

O=C(COCC1CCCCN1S(=O)(=O)c1ccccc1C(F)(F)F)N1CCC(O)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 14/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM4 P08173 1/20 0.39
HCRTR1 O43613 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL3823420 0.94 HCRTR1 (0.40) CCR1MEN1KMT2ACHRM4HCRTR1
SCHEMBL5123813 0.92 CCR1 (0.39) CCR1MEN1KMT2AHCRTR1
SCHEMBL5131228 0.92 OPRM1 (0.47) CCR1DRD2DRD4DRD3
SCHEMBL5122035 0.88 OPRL1 (0.44) MEN1KMT2ACHRM4HCRTR1
SCHEMBL5129990 0.87 MEN1 (0.45) MEN1KMT2AHCRTR1
SCHEMBL5132354 0.87 CCR1 (0.46) CCR1MEN1KMT2ADRD2DRD3
SCHEMBL5128597 0.86 BRD4 (0.46) CCR1MEN1KMT2A
SCHEMBL5128085 0.84 PKLR (0.50) HCRTR1
SCHEMBL3821931 0.82 S1PR2 (0.43) CCR1MEN1KMT2ACHRM4DRD2
SCHEMBL5126207 0.81 OPRM1 (0.47) CCR1DRD2DRD4DRD3

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-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US claimed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 CCR1 598/4885MEN1 1340/4885KMT2A 2892/4885

“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.