SCHEMBL5226532

SCHEMBL5226532

CCCC(=S)NCCC1CCOc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.44
MTNR1B P49286 15/20 0.44
KCNH2 Q12809 2/20 0.39
ABCB11 O95342 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
USP2 O75604 1/20 0.37
HTR2B P41595 1/20 0.35

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
SCHEMBL5231694 0.80 MTNR1A (0.58) MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL29960516 0.76 KCNH2 (0.44) MTNR1AMTNR1BKCNH2
SCHEMBL2153529 0.74 KCNH2 (0.45) MTNR1AMTNR1BKCNH2
SCHEMBL29960099 0.74 MTNR1A (0.45) MTNR1AMTNR1BKCNH2ABCB11SIGMAR1
SCHEMBL29960346 0.72 KCNH2 (0.44) MTNR1AMTNR1BKCNH2
SCHEMBL5174865 0.72 KCNH2 (0.44) MTNR1AMTNR1BKCNH2
SCHEMBL9692344 0.72 SMN1; SMN2 (0.43) MTNR1AMTNR1BKCNH2
SCHEMBL805497 0.72 KCNH2 (0.43) KCNH2
SCHEMBL22143980 0.72 KCNH2 (0.43) KCNH2
SCHEMBL17424104 0.72 KCNH2 (0.43) KCNH2

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-0998471-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2007-03-14 EP disclosed
US-6602903-B2 Substituted O- and/or S heterocyclic compounds; powerful ligands for melatoninergic receptors. LES LABORATORIES SERVIER (FR) 2003-08-05 US disclosed
US-20020052400-A1 Substituted heterocyclic compounds ADIR ET COMPAGNIE 2002-05-02 US disclosed
US-6313160-B1 FOR THERAPY AND PROPHYLAXIS OF MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-06 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-20020052400-A1 Substituted heterocyclic compounds MTNR1A, MTNR1B, CBR1 MTNR1A 1/4885MTNR1B 2/4885KCNH2 974/4885

“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.