SCHEMBL1423049

SCHEMBL1423049

CCc1ccc(S(=O)(=O)N2CCc3sc(OCCCN4CCCC4)cc3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 14/20 0.52
▸ LMNA P02545 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KCNH2 Q12809 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
SCHEMBL2909750 0.93 HRH3 (0.52) HRH3LMNAPKMSLC2A1HSD11B1
SCHEMBL2914096 0.92 HRH3 (0.53) HRH3LMNAPKMSLC2A1TSHR
SCHEMBL1422860 0.90 HRH3 (0.53) HRH3TSHRRECQLL3MBTL1ALDH1A1
SCHEMBL1423041 0.90 HRH3 (0.55) HRH3TSHRRECQLL3MBTL1ALDH1A1
SCHEMBL1422936 0.88 HRH3 (0.66) HRH3SLC2A1ALDH1A1
SCHEMBL1422794 0.87 HRH3 (0.67) HRH3SLC2A1KCNH2
SCHEMBL1423482 0.84 HRH3 (0.47) HRH3SLC2A1TSHRRECQLL3MBTL1
SCHEMBL1422845 0.84 HRH3 (0.53) HRH3SLC2A1TSHRL3MBTL1ALDH1A1
SCHEMBL1422744 0.84 HRH3 (0.54) HRH3
SCHEMBL1423050 0.84 HRH3 (0.62) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102214-B1 4, 5, 6, 7-TETRAHYDRO-THIENO [3, 2-C] PYRIDINE DERIVATIVES AS H3 MODULATORS HOFFMANN LA ROCHE (CH) 2011-03-23 — — EP claimed
US-7557101-B2 4,5,6,7-tetrahydro-thieno[3,2-c] pyridine derivatives HOFFMAN-LA ROCHE INC. (US) 2009-07-07 — — US claimed
US-20080146558-A1 4,5,6,7-Tetrahydro-Thieno [3,2-C] Pyridine Derivatives HOFFMANN-LA ROCHE, INC. 2008-06-19 — — US claimed
EP-2102214-B1 4, 5, 6, 7-TETRAHYDRO-THIENO [3, 2-C] PYRIDINE DERIVATIVES AS H3 MODULATORS HOFFMANN LA ROCHE (CH) 2011-03-23 — — EP disclosed
US-7557101-B2 4,5,6,7-tetrahydro-thieno[3,2-c] pyridine derivatives HOFFMAN-LA ROCHE INC. (US) 2009-07-07 — — US disclosed
US-20080146558-A1 4,5,6,7-Tetrahydro-Thieno [3,2-C] Pyridine Derivatives HOFFMANN-LA ROCHE, INC. 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-20080146558-A1 4,5,6,7-Tetrahydro-Thieno [3,2-C] Pyridine Derivatives HRH4, HRH3, HRH2 HRH3 2/4885LMNA 3486/4885PKM 1389/4885

“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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