SCHEMBL12239178

SCHEMBL12239178

CCc1cnc(C2CCC(Oc3ccc(CC4CCN(S(=O)(=O)CCCO)CC4)cc3Cl)CC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 13/20 0.39
FPR2 P25090 12/20 0.39
MMP13 P45452 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 2/20 0.34
IKBKB O14920 2/20 0.33
CHUK O15111 1/20 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
SCHEMBL1006391 0.89 GPR119 (0.43) PROKR1FPR2MMP13
SCHEMBL1006762 0.80 GPR119 (0.45) PROKR1FPR2MMP13SMN1; SMN2
SCHEMBL1006266 0.78 GPR119 (0.43)
SCHEMBL1006506 0.76 GPR119 (0.47) PROKR1FPR2NPC1
SCHEMBL1005491 0.71 GPR119 (0.38)
SCHEMBL1005839 0.71 GPR119 (0.44)
SCHEMBL1006510 0.71 GPR119 (0.41) PROKR1FPR2
SCHEMBL12239176 0.69 CSNK2A1 (0.45) PROKR1FPR2
SCHEMBL1003961 0.69 GPR119 (0.41) SMN1; SMN2NPC1
SCHEMBL1005451 0.68 PDE4D (0.45)

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 2 patents. 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
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 PROKR1 370/4885FPR2 400/4885MMP13 3501/4885

“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.