SCHEMBL5227511

SCHEMBL5227511

COc1ccc2c(c1)C(C#N)CCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.46
HTR1A P08908 4/20 0.45
HTR2B P41595 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
HTR7 P34969 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
MTNR1A P48039 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 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
SCHEMBL5256443 0.81 MTNR1A (0.42) MTNR1A
SCHEMBL5229125 0.79 HTR1A (0.53) ENPP2HTR1AHTR2BSIGMAR1HTR7
SCHEMBL25659961 0.78 ENPP2 (0.49) ENPP2HTR1AHTR2BSIGMAR1HTR7
SCHEMBL9432676 0.77 ADRA2A (0.38) DRD2DRD3ALDH1A1SMN1; SMN2
SCHEMBL24915808 0.77 ENPP2 (0.51) ENPP2HTR1AHTR2BSIGMAR1HTR7
SCHEMBL24915792 0.77 ENPP2 (0.48) ENPP2HTR1AHTR2BSIGMAR1HTR7
SCHEMBL9669534 0.77 ENPP2 (0.48) ENPP2HTR1AHTR2BSIGMAR1HTR7
SCHEMBL23704789 0.77 ADRA2A (0.47) DRD2DRD3MAPTNPC1RAB9A
SCHEMBL1239052 0.77 ENPP2 (0.51) ENPP2HTR1AHTR2BSIGMAR1HTR7
SCHEMBL6799198 0.77 ENPP2 (0.48) ENPP2HTR1AHTR2BSIGMAR1HTR7

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 ENPP2 1856/4885HTR1A 122/4885HTR2B 324/4885

“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.