SCHEMBL5374619

SCHEMBL5374619

Cc1cccc(S(=O)(=O)N(C)C2CCC(N3CCC(C(C)(C)C)CC3)C2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 7/20 0.57
▸ HTR2C P28335 7/20 0.57
▸ ALDH1A1 P00352 2/20 0.40
▸ PTGDR Q13258 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CACNA1B Q00975 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ KDM2B Q8NHM5 1/20 0.39
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL5374623 1.00 HTR2A (0.57) HTR2AHTR2CALDH1A1PTGDRPTGDR2
SCHEMBL5374632 1.00 HTR2A (0.57) HTR2AHTR2CALDH1A1PTGDRPTGDR2
Hydrochloric Acid SCHEMBL5371053 0.99 HTR2A (0.56) HTR2AHTR2CALDH1A1PTGDRPTGDR2
Hydrochloric Acid SCHEMBL5371045 0.99 HTR2A (0.56) HTR2AHTR2CALDH1A1PTGDRPTGDR2
Hydrochloric Acid SCHEMBL5371047 0.99 HTR2A (0.56) HTR2AHTR2CALDH1A1PTGDRPTGDR2
SCHEMBL5372172 0.91 HTR2A (0.56) HTR2AHTR2CALDH1A1PTGDRPTGDR2
SCHEMBL5372183 0.91 HTR2A (0.56) HTR2AHTR2CALDH1A1PTGDRPTGDR2
SCHEMBL5372175 0.91 HTR2A (0.56) HTR2AHTR2CALDH1A1PTGDRPTGDR2
Hydrochloric Acid SCHEMBL5372605 0.90 HTR2A (0.55) HTR2AHTR2CALDH1A1PTGDRPTGDR2
Hydrochloric Acid SCHEMBL5372602 0.90 HTR2A (0.55) HTR2AHTR2CALDH1A1PTGDRPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276607-B2 5-HT7 receptor antagonists MERCK SHARP & DOHME LIMITED (GB) 2007-10-02 — — US claimed
US-20050080077-A1 5-ht7 receptor antagonists MERCK SHARP & DOHME LTD. (GB) 2005-04-14 — — US claimed

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-20050080077-A1 5-ht7 receptor antagonists HTR7, HTR2B, HTR1A HTR2A 13/4885HTR2C 4/4885ALDH1A1 2892/4885

“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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