SCHEMBL3227846

SCHEMBL3227846

COc1ccc2ccc(=O)n3c2c1C(C=O)CC3

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.31
MTNR1B P49286 3/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
SLC2A1 P11166 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP19A1 P11511 1/20 0.30
NQO2 P16083 1/20 0.30

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
SCHEMBL3227968 0.81 KCNH2 (0.32) SLC2A1
SCHEMBL3230665 0.73 HTR1A (0.34) ALDH1A1MAPT
SCHEMBL15875350 0.73 ADRA1A (0.35) MTNR1AMTNR1BHCRTR1HCRTR2SLC2A1
SCHEMBL3225974 0.69 KDM4E (0.46) MAPK1ALDH1A1MAPTCYP19A1NQO2
SCHEMBL3149562 0.69 SLC2A1 (0.45) MTNR1AMTNR1BSLC2A1HTR2C
SCHEMBL17311898 0.68 MTNR1A (0.36) MTNR1AMTNR1BSLC2A1
SCHEMBL15875133 0.68 PDE4A (0.33) MTNR1AMTNR1BSLC2A1ALDH1A1SMN1; SMN2
SCHEMBL3221898 0.68
SCHEMBL4590241 0.63 CNR1 (0.33) ALDH1A1MAPTCYP19A1NQO2
SCHEMBL15911203 0.63 ADRA1A (0.49) ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056502-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-03-04 US disclosed
EP-2125813-A2 COMPOUNDS Glaxo Group Limited (GB) 2009-12-02 EP disclosed
WO-2008116815-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-02 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-20100056502-A1 COMPOUNDS NRDC, NACA, NAA50 MTNR1A 2151/4885MTNR1B 1480/4885HCRTR1 2709/4885

“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.