SCHEMBL5227858

SCHEMBL5227858

COc1ccc2c(c1)COCC2CN

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.48
HTR6 P50406 1/20 0.44
HTR2C P28335 3/20 0.38
HTR2B P41595 2/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
PPARD Q03181 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL5228138 0.85 PPARD (0.39) HTR2AHTR2CPPARDSIGMAR1
SCHEMBL10604835 0.80 DRD2 (0.43) HTR2AHTR2CDRD2DRD3
SCHEMBL7430030 0.80 HTR2A (0.54) HTR2AHTR6HTR2CHTR2BDRD2
Hydrochloric Acid SCHEMBL10780022 0.79 DRD2 (0.42) HTR2AHTR2CDRD2DRD3
Hydrochloric Acid SCHEMBL9427366 0.78 HTR2A (0.52) HTR2AHTR6HTR2CHTR2BDRD2
SCHEMBL5261924 0.78 MTNR1A (0.58) HTR2C
SCHEMBL3288369 0.77 HTR6 (0.60) HTR2AHTR6DRD2DRD3PPARD
SCHEMBL5228877 0.76 MTNR1A (0.60) HTR2C
SCHEMBL30839494 0.76 CYP3A4 (0.48) HTR2ADRD2DRD3PPARD
SCHEMBL9627802 0.76 CYP3A4 (0.48) HTR2ADRD2DRD3PPARD

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 6 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
EP-0998471-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 2000-05-10 EP disclosed
WO-1998052935-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1998-11-26 WO 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 HTR2A 167/4885HTR6 138/4885HTR2C 112/4885

“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.