SCHEMBL3715027

SCHEMBL3715027

Cc1cc(Br)ccc1C1CCCN1C=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSP90AA1 P07900 4/20 0.33
HSP90AB1 P08238 4/20 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
SCHEMBL29086728 0.75 OPRM1 (0.40) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL2296429 0.75 TSHR (0.45) ALDH1A1MAPK1TSHR
SCHEMBL29456508 0.75 CFB (0.38) KMT2AMEN1ALDH1A1TDP1
SCHEMBL21491130 0.75 CFB (0.38) KMT2AMEN1ALDH1A1TDP1
SCHEMBL31472453 0.75 CFB (0.38) KMT2AMEN1ALDH1A1TDP1
SCHEMBL3709981 0.75 IRAK4 (0.33) HSP90AA1HSP90AB1
SCHEMBL21590170 0.75 DRD2 (0.41)
SCHEMBL19253667 0.73 HPGD (0.35) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL19253599 0.73 HPGD (0.35) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL16102421 0.72 ALDH1A1 (0.33) KMT2AMEN1ALDH1A1KDM4E

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-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2011-03-10 US disclosed
EP-2215077-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS Prosidion Limited (GB) 2010-08-11 EP disclosed
WO-2009050522-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-04-23 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-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists GPR119, GIPR, GPR39 OPRM1 249/4885OPRD1 127/4885OPRK1 185/4885

“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.