SCHEMBL12239167

SCHEMBL12239167

N#Cc1cnc(N2CCC(Oc3ccc(CN4CCCCC4)cc3Cl)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.46
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
DRD4 P21917 1/20 0.41
CSNK2A1 P68400 2/20 0.41
GPR119 Q8TDV5 1/20 0.40
TBK1 Q9UHD2 3/20 0.40
IKBKE Q14164 1/20 0.40
SCN1A P35498 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
SCD O00767 1/20 0.40
PRKAA2 P54646 1/20 0.40

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
SCHEMBL12239161 0.89 POLB (0.46) UTS2RPOLBSMN1; SMN2HRH3CSNK2A1
SCHEMBL12239160 0.87 POLB (0.44) POLBSMN1; SMN2HRH3CSNK2A1SCN1A
SCHEMBL1006218 0.87 UTS2R (0.46) UTS2RGPR119TBK1SCN1ASCN8A
SCHEMBL12239172 0.86 SMN1; SMN2 (0.43) UTS2RPOLBSMN1; SMN2HRH3CSNK2A1
SCHEMBL12239159 0.86 SCD (0.49) POLBSMN1; SMN2CSNK2A1SCN1ASCN8A
SCHEMBL12239164 0.84 HRH1 (0.44) UTS2RSCD
SCHEMBL12239163 0.83 OPRK1 (0.43) UTS2RPOLBSMN1; SMN2HRH3CSNK2A1
SCHEMBL12239158 0.81 UTS2R (0.45) UTS2RSCN1ASCN8A
SCHEMBL12239165 0.81 DGAT2 (0.48) UTS2RSCN1ASCN8A
SCHEMBL1007986 0.80 UTS2R (0.41) UTS2RSMN1; SMN2GPR119TBK1IKBKE

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 UTS2R 265/4885POLB 4770/4885SMN1; SMN2 3819/4885

“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.