SCHEMBL5379626

SCHEMBL5379626

CC1CCN([C@@H]2CC[C@H](N(C)S(=O)(=O)c3cccc(O)c3)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 5/20 0.45
▸ HTR2C P28335 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HTR7 P34969 4/20 0.42
▸ DRD3 P35462 3/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ HTR1B P28222 2/20 0.42
▸ HTR5A P47898 2/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ HTR1D P28221 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ HTR4 Q13639 1/20 0.42
▸ ADRA2A P08913 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
SCHEMBL5379617 1.00 HTR2A (0.45) HTR2AHTR2CALDH1A1LMNAPOLB
SCHEMBL5379614 1.00 HTR2A (0.45) HTR2AHTR2CALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL5371111 0.99 ALDH1A1 (0.45) HTR2AHTR2CALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL5371103 0.99 ALDH1A1 (0.45) HTR2AHTR2CALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL5371107 0.99 ALDH1A1 (0.45) HTR2AHTR2CALDH1A1LMNAPOLB
SCHEMBL5370331 0.88 HTR2A (0.60) HTR2AHTR2CALDH1A1LMNAPOLB
SCHEMBL5370342 0.88 HTR2A (0.60) HTR2AHTR2CALDH1A1LMNAPOLB
SCHEMBL5370335 0.88 HTR2A (0.60) HTR2AHTR2CALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL5379753 0.87 HTR2A (0.59) HTR2AHTR2CALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL5379758 0.87 HTR2A (0.59) HTR2AHTR2CALDH1A1LMNAPOLB

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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