SCHEMBL10205630

SCHEMBL10205630

O=S(=O)(CCC1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1)N1CCN(c2ccncc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 12/20 0.60
▸ HTR1A P08908 5/20 0.43
▸ DRD2 P14416 5/20 0.43
▸ HTR2A P28223 5/20 0.43
▸ HTR7 P34969 5/20 0.43
▸ HTR6 P50406 5/20 0.43
▸ TSHR P16473 1/20 0.43
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
Hydrochloric Acid SCHEMBL3339743 0.99 CHRM1 (0.59) CHRM1HTR1ADRD2HTR2AHTR7
SCHEMBL639185 0.83 MEN1 (0.46) CHRM1HTR7HTR6LMNAKMT2A
SCHEMBL10205632 0.82 F10 (0.46) CHRM1HTR1ADRD2HTR2AHTR7
Hydrochloric Acid SCHEMBL3340280 0.81 F10 (0.45) CHRM1HTR7HTR6
SCHEMBL10205625 0.79 TSHR (0.51) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL3338129 0.78 TSHR (0.50) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL3336572 0.77 CHRM1 (0.40) CHRM1TSHR
Hydrochloric Acid SCHEMBL641578 0.76 CHRM1 (0.40) CHRM1TSHR
SCHEMBL15102012 0.75 CHRM1 (1.00) CHRM1
SCHEMBL2960625 0.72 TSHR (0.65) CHRM1TSHRLMNAKMT2A

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-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 — — US disclosed
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 — — US disclosed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 — — 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-20100152158-A1 Substituted Disulfonamide Compounds BDKRB1, BDKRB2, BRS3 CHRM1 162/4885HTR1A 199/4885DRD2 147/4885

“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.

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