SCHEMBL13085672

SCHEMBL13085672

CN1CCC2(CC1)CS(=O)(=O)c1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.49
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
SIGMAR1 Q99720 2/20 0.46

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
SCHEMBL761955 0.78 CCR5 (0.39) CCR5HTR2AHTR2CSIGMAR1
SCHEMBL7675854 0.72 DRD4 (0.44) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL10300869 0.71 PLCG1 (0.36) CCR5
SCHEMBL3287322 0.70 HRH3 (0.54) CCR5HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL23508644 0.69 SIGMAR1 (0.49) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL12991140 0.69 SIGMAR1 (0.60) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL2743258 0.68 SIGMAR1 (0.67) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL21845237 0.68 SLC10A2 (0.35) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL14508463 0.68 SIGMAR1 (0.51) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9927232 0.67 DRD4 (0.50) HTR2AHTR2CHTR2BSIGMAR1

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-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 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-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 CCR5 4565/4885HTR2A 4769/4885HTR2C 4834/4885

“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.