SCHEMBL1423041

SCHEMBL1423041

Cc1ccc(S(=O)(=O)N2CCc3sc(OCCCN4CCCCC4)cc3C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.55
▸ ALDH1A1 P00352 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ RECQL P46063 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CD4 P01730 3/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ MBTD1 Q05BQ5 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ KDM4E B2RXH2 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
SCHEMBL1422860 0.99 HRH3 (0.53) HRH3ALDH1A1TSHRRECQLPOLB
SCHEMBL2907958 0.92 HRH3 (0.55) HRH3ALDH1A1TSHRRECQLPOLB
SCHEMBL2907126 0.91 HRH3 (0.53) HRH3ALDH1A1TSHRRECQLPOLB
SCHEMBL1422794 0.90 HRH3 (0.67) HRH3ESR2KCNH2
SCHEMBL1423049 0.90 HRH3 (0.52) HRH3ALDH1A1TSHRRECQLL3MBTL1
SCHEMBL1422936 0.89 HRH3 (0.66) HRH3ALDH1A1ESR1ESR2KDM4E
SCHEMBL1422845 0.89 HRH3 (0.53) HRH3ALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL1423087 0.88 HRH3 (0.49) HRH3ALDH1A1TSHRRECQLPOLB
SCHEMBL1423482 0.87 HRH3 (0.47) HRH3ALDH1A1TSHRRECQLPOLB
SCHEMBL1422943 0.86 HRH3 (0.64) 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 2/4885ALDH1A1 362/4885TSHR 42/4885

“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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