SCHEMBL6097057

SCHEMBL6097057

COC1CCCN(C(CCC(C)C)S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.41
FFAR2 O15552 1/20 0.38
CYP2C19 P33261 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
HSD11B1 P28845 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CHRM5 P08912 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6099133 0.87 CHRM2 (0.39) RORC
SCHEMBL6098038 0.87 TAAR1 (0.38) RORCFFAR2CYP2C19DGAT2
SCHEMBL6095467 0.83 RORC (0.46) RORCCYP2C19HSD17B10KDM4E
SCHEMBL6097247 0.82 CYP2C19 (0.38) RORCCYP2C19CHRM5
SCHEMBL6097505 0.81 RORC (0.34) RORCCYP2C19HSD17B10TSHRKDM4E
SCHEMBL6095436 0.81 CYP2C19 (0.41) RORCCYP2C19
SCHEMBL6098125 0.81 FABP6 (0.36) RORCTSHRKDM4E
SCHEMBL6097882 0.81 RORC (0.34) RORCCYP2C19HSD17B10TSHRKDM4E
SCHEMBL6098065 0.81 ALDH1A1 (0.47) HSD11B1CHRM5KDM4E
Hydrochloric Acid SCHEMBL6097193 0.81 CYP2C19 (0.40) RORCCYP2C19

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 RORC 669/4885FFAR2 133/4885CYP2C19 446/4885

“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.