SCHEMBL2913003

SCHEMBL2913003

O=S(=O)(c1cccc(F)c1)N1CCc2cc(OCCCN3CCCCC3)sc2C1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.55
▸ AKR1C3 P42330 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ SLC2A1 P11166 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL2913170 0.99 HRH3 (0.53) HRH3AKR1C3HTR6SLC2A1PKM
SCHEMBL2913820 0.90 HRH3 (0.67) HRH3SLC2A1
SCHEMBL2906731 0.89 HRH3 (0.66) HRH3SLC2A1ALDH1A1SMN1; SMN2
SCHEMBL2913116 0.88 HRH3 (0.53) HRH3AKR1C3ALDH1A1HTR1AHTR7
SCHEMBL2907958 0.84 HRH3 (0.55) HRH3ALDH1A1
SCHEMBL2907126 0.83 HRH3 (0.53) HRH3ALDH1A1SMN1; SMN2
SCHEMBL2914096 0.83 HRH3 (0.53) HRH3SLC2A1PKM
SCHEMBL5097438 0.82 HRH3 (0.80) HRH3AKR1C3
SCHEMBL2912839 0.82 HRH3 (0.49) HRH3ALDH1A1SMN1; SMN2
SCHEMBL1422794 0.82 HRH3 (0.67) HRH3AKR1C3SLC2A1

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 2/4885AKR1C3 308/4885HTR6 31/4885

“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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