SCHEMBL12239152

SCHEMBL12239152

CCc1cnc(N2CCC(Oc3ccc(CN4CCCCC4)cc3C(=O)OC)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.43
OPRK1 P41145 1/20 0.43
GPR119 Q8TDV5 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.40
CHEK1 O14757 1/20 0.39
LMNA P02545 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL1007705 0.89 GPR119 (0.44) GPR119LMNA
SCHEMBL12239172 0.84 SMN1; SMN2 (0.43) ADRB2GPR119MEN1KMT2APOLB
SCHEMBL12239158 0.83 UTS2R (0.45) ADRB2LMNA
SCHEMBL12239164 0.78 HRH1 (0.44)
SCHEMBL1003933 0.78 UTS2R (0.49)
SCHEMBL1003936 0.76 GPR119 (0.46) GPR119
SCHEMBL1006217 0.76 GPR119 (0.47) GPR119KMT2ALMNA
SCHEMBL13660399 0.76 UTS2R (0.43) GPR119HRH3
SCHEMBL12239163 0.75 OPRK1 (0.43) OPRK1POLBCHEK1HRH3
SCHEMBL12239165 0.75 DGAT2 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-27 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-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR55, NR1H2 ADRB2 131/4885OPRK1 146/4885GPR119 1/4885

“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.