SCHEMBL1422936

SCHEMBL1422936

O=S(=O)(c1ccccc1)N1CCc2sc(OCCCN3CCCC3)cc2C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 11/20 0.66
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PRMT5 O14744 1/20 0.44
▸ WDR77 Q9BQA1 1/20 0.44
▸ ESR2 Q92731 2/20 0.42
▸ HRH1 P35367 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ DRD3 P35462 1/20 0.39

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
SCHEMBL1422794 0.99 HRH3 (0.67) HRH3MEN1KMT2APRMT5WDR77
SCHEMBL2906731 0.92 HRH3 (0.66) HRH3MEN1KMT2AESR2HRH1
SCHEMBL2913820 0.91 HRH3 (0.67) HRH3MEN1KMT2AESR2HRH1
SCHEMBL1422860 0.90 HRH3 (0.53) HRH3MEN1KMT2AESR2ALDH1A1
SCHEMBL1422845 0.89 HRH3 (0.53) HRH3MEN1KMT2AAKR1C3KDM4E
SCHEMBL1423041 0.89 HRH3 (0.55) HRH3ESR2KDM4EALDH1A1ESR1
SCHEMBL1423049 0.88 HRH3 (0.52) HRH3ALDH1A1SLC2A1
SCHEMBL1422964 0.86 HRH3 (0.49) HRH3ALDH1A1
SCHEMBL1422969 0.85 HRH3 (0.51) HRH3KDM4EALDH1A1
SCHEMBL1423050 0.85 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 2/4885MEN1 2512/4885KMT2A 566/4885

“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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