SCHEMBL2913820

SCHEMBL2913820

O=S(=O)(c1ccccc1)N1CCc2cc(OCCCN3CCCCC3)sc2C1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 16/20 0.67
▸ HRH1 P35367 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ESR2 Q92731 2/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ SLC2A1 P11166 1/20 0.41

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
SCHEMBL2906731 0.99 HRH3 (0.66) HRH3HRH1MEN1KMT2AESR2
SCHEMBL1422794 0.92 HRH3 (0.67) HRH3HRH1MEN1KMT2AESR2
SCHEMBL1422936 0.91 HRH3 (0.66) HRH3HRH1MEN1KMT2AESR2
SCHEMBL2907958 0.90 HRH3 (0.55) HRH3ESR2ESR1
SCHEMBL2913003 0.90 HRH3 (0.55) HRH3SLC2A1
SCHEMBL2907126 0.89 HRH3 (0.53) HRH3MEN1KMT2AESR2ESR1
SCHEMBL2913116 0.89 HRH3 (0.53) HRH3MEN1KMT2A
SCHEMBL2913170 0.89 HRH3 (0.53) HRH3MEN1KMT2AESR2ESR1
SCHEMBL2914096 0.89 HRH3 (0.53) HRH3SLC2A1
SCHEMBL2913157 0.88 HRH3 (0.52) HRH3KMT2A

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 2/4885HRH1 4/4885MEN1 2526/4885

“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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