SCHEMBL5227718

SCHEMBL5227718

COc1ccc2c(c1)OCCC2CCNC(=O)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.59
MTNR1A P48039 14/20 0.52
MTNR1B P49286 12/20 0.52
NQO2 P16083 10/20 0.48
NPC1 O15118 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
USP2 O75604 1/20 0.45

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
SCHEMBL5227713 0.92 HTR1A (0.59) HTR1AMTNR1AMTNR1BNQO2NPC1
SCHEMBL5346158 0.85 MTNR1A (0.44) HTR1AMTNR1AMTNR1BNQO2NPC1
SCHEMBL5337505 0.85 SIGMAR1 (0.44) HTR1AMTNR1AMTNR1BNPC1
SCHEMBL5341369 0.85 KDM4C (0.47) HTR1AMTNR1AMTNR1BNPC1
SCHEMBL7198660 0.85 MTNR1A (0.66) HTR1AMTNR1AMTNR1BNQO2
SCHEMBL5223865 0.84 MTNR1A (0.63) HTR1AMTNR1AMTNR1BNQO2
SCHEMBL5225818 0.83 MTNR1A (0.49) HTR1AMTNR1AMTNR1BNQO2
SCHEMBL6077449 0.80 SMN1; SMN2 (0.43) HTR1AMTNR1AMTNR1BNPC1
SCHEMBL5346153 0.79 MTNR1A (0.47) HTR1AMTNR1AMTNR1BNQO2NPC1
SCHEMBL6075934 0.79 CA1 (0.39) HTR1AMTNR1AMTNR1BNPC1

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 HTR1A 122/4885MTNR1A 1/4885MTNR1B 2/4885

“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.