SCHEMBL12239172

SCHEMBL12239172

CCc1cnc(N2CCC(Oc3ccc(CN4CCCCC4)cc3Cl)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
SCD O00767 1/20 0.43
GPR119 Q8TDV5 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 3/20 0.43
CSNK2A1 P68400 2/20 0.42
SCN1A P35498 2/20 0.42
SCN8A Q9UQD0 2/20 0.42
ADRB2 P07550 1/20 0.42
UTS2R Q9UKP6 1/20 0.41

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 0.91 POLB (0.46) SMN1; SMN2POLBSCDGPR119HRH3
SCHEMBL12262498 0.90 SCN8A (0.42) SMN1; SMN2SCDGPR119MEN1NPC1
SCHEMBL1007710 0.90 UTS2R (0.47) UTS2R
Hydrochloric Acid SCHEMBL1006064 0.89 UTS2R (0.47) SMN1; SMN2MEN1NPC1TP53HPGD
SCHEMBL12239186 0.89 SCD (0.42) SMN1; SMN2SCDGPR119MEN1NPC1
SCHEMBL12239160 0.89 POLB (0.44) SMN1; SMN2POLBSCDHRH3CSNK2A1
SCHEMBL12239188 0.88 GPR119 (0.42) SMN1; SMN2SCDGPR119MEN1NPC1
SCHEMBL1003945 0.88 SCN1A (0.41) SMN1; SMN2SCDGPR119MEN1NPC1
SCHEMBL1007986 0.88 UTS2R (0.41) SMN1; SMN2SCDGPR119MEN1NPC1
SCHEMBL12239159 0.88 SCD (0.49) SMN1; SMN2POLBSCDMEN1TSHR

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 SMN1; SMN2 3819/4885POLB 4770/4885SCD 1145/4885

“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.