SCHEMBL6096866

SCHEMBL6096866

CC(C)CCC(N1CCCC(N(C)C(=O)c2ccccc2)C1)S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.42
KDM5A P29375 1/20 0.41
USP30 Q70CQ3 2/20 0.40
CCR5 P51681 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KCNH2 Q12809 1/20 0.40
BTK Q06187 1/20 0.39
MCHR1 Q99705 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL6098562 0.82 KMT2A (0.43) KMT2A
SCHEMBL10169283 0.80 HRH3 (0.57) HRH3KDM5AUSP30CCR5MEN1
SCHEMBL6095467 0.80 RORC (0.46) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL6099714 0.78 KMT2A (0.50) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6095436 0.78 CYP2C19 (0.41) KMT2AALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL6097193 0.77 CYP2C19 (0.40) KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL6098385 0.76 CASP3 (0.38) CCR5MEN1KMT2AALDH1A1GAA
SCHEMBL6097394 0.76 CYP2C19 (0.39) KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL6098988 0.76 CYP2C19 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6097882 0.76 RORC (0.34) MEN1KMT2AALDH1A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101892-B2 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. 2006-09-05 US disclosed
US-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. (GB) 2004-11-18 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-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands HTR7, HTR2C, HTR1A HRH3 228/4885KDM5A 2356/4885USP30 3613/4885

“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.