SCHEMBL5225798

SCHEMBL5225798

COc1ccc2ccc3c(c2c1)C(CC#N)CCO3

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.40
HTR2C P28335 12/20 0.40
MTNR1B P49286 12/20 0.40
HTR1A P08908 2/20 0.40
NQO2 P16083 1/20 0.37

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
SCHEMBL5229125 0.82 HTR1A (0.53) MTNR1AMTNR1BHTR1A
SCHEMBL5256443 0.81 MTNR1A (0.42) MTNR1AHTR2CMTNR1B
SCHEMBL5229128 0.80 HTR1A (0.53) HTR1A
SCHEMBL5227860 0.77 MTNR1A (0.69) MTNR1AHTR2CMTNR1B
SCHEMBL5227065 0.75 MTNR1A (0.70) MTNR1AHTR2CMTNR1BNQO2
SCHEMBL5227741 0.74 MTNR1A (0.59) MTNR1AHTR2CMTNR1B
SCHEMBL5225086 0.73 MTNR1A (0.57) MTNR1AHTR2CMTNR1BNQO2
SCHEMBL5223565 0.68 GAA (0.36) MTNR1ANQO2
SCHEMBL5223569 0.68 GAA (0.36) MTNR1ANQO2
SCHEMBL5227511 0.67 ENPP2 (0.46) MTNR1AHTR1A

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 1/4885HTR2C 112/4885MTNR1B 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.