SCHEMBL2913116

SCHEMBL2913116

Cc1cccc(S(=O)(=O)N2CCc3cc(OCCCN4CCCC4)sc3C2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 11/20 0.53
▸ KDM4E B2RXH2 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ AKR1C3 P42330 2/20 0.41
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL1422845 0.93 HRH3 (0.53) HRH3KDM4EL3MBTL1AKR1C3HTR1A
SCHEMBL2907126 0.90 HRH3 (0.53) HRH3L3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL2906731 0.89 HRH3 (0.66) HRH3KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL2913170 0.89 HRH3 (0.53) HRH3AKR1C3HTR1ADRD2HTR7
SCHEMBL2907958 0.89 HRH3 (0.55) HRH3KDM4EL3MBTL1ALDH1A1TSHR
SCHEMBL2913820 0.89 HRH3 (0.67) HRH3MEN1KMT2A
SCHEMBL2913003 0.88 HRH3 (0.55) HRH3AKR1C3HTR1AHTR7ALDH1A1
SCHEMBL2914879 0.85 HRH3 (0.47) HRH3KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2912839 0.85 HRH3 (0.49) HRH3KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2909750 0.84 HRH3 (0.52) HRH3L3MBTL1ALDH1A1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102215-B1 4,5,6,7-TETRAHYDRO-THIENO [2,3-C]PYRIDINES AS H3 MODULATORS HOFFMANN LA ROCHE (CH) 2010-09-01 — — EP claimed
US-20080146559-A1 4,5,6,7-Tetrahydro-Thieno [2,3-C] Pyridine Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 — — US claimed
EP-2102215-B1 4,5,6,7-TETRAHYDRO-THIENO [2,3-C]PYRIDINES AS H3 MODULATORS HOFFMANN LA ROCHE (CH) 2010-09-01 — — EP disclosed
US-20080146559-A1 4,5,6,7-Tetrahydro-Thieno [2,3-C] Pyridine Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 — — 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-20080146559-A1 4,5,6,7-Tetrahydro-Thieno [2,3-C] Pyridine Derivatives HRH4, HRH3, HRH2 HRH3 2/4885KDM4E 783/4885L3MBTL1 2989/4885

“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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