SCHEMBL5223565

SCHEMBL5223565

COc1ccc2ccc3c(c2c1)/C(=C/C#N)CCO3

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
MTNR1A P48039 2/20 0.35
ALOX5 P09917 1/20 0.35
DPP4 P27487 7/20 0.33
HNF4A P41235 1/20 0.33
NQO2 P16083 1/20 0.33
NQO1 P15559 1/20 0.33

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
SCHEMBL5223569 1.00 GAA (0.36) GAAMAPK1MAPTDYRK1ADYRK1B
SCHEMBL5226377 0.81 GAA (0.40) GAAMAPK1MAPTDYRK1ADYRK1B
SCHEMBL5226382 0.78 MAPK1 (0.40) GAAMAPK1MAPTDYRK1ADYRK1B
SCHEMBL5228583 0.77 ALOX5 (0.44) GAAMAPTDYRK1ADYRK1BMTNR1A
SCHEMBL172896 0.70 MAPT (0.48) GAAMAPK1MAPT
SCHEMBL5256443 0.68 MTNR1A (0.42) MTNR1ADPP4
SCHEMBL5225798 0.68 MTNR1A (0.40) MTNR1ANQO2
SCHEMBL19313470 0.68 MTNR1A (0.49) MTNR1ADPP4
SCHEMBL22135640 0.67 MTNR1A (0.48) MTNR1ADPP4
SCHEMBL31028101 0.65 PIK3CA (0.38) GAAMAPK1MAPTDYRK1ADYRK1B

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 GAA 3348/4885MAPK1 3126/4885MAPT 3970/4885

“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.