SCHEMBL1007017

SCHEMBL1007017

CCc1cnc(N2CCC(Oc3ccc(CN4CCN(c5nn[nH]n5)CC4)cc3Cl)CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 11/20 0.41
SCD O00767 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCN1A P35498 2/20 0.38
SCN8A Q9UQD0 2/20 0.38

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
SCHEMBL1007710 0.86 UTS2R (0.47) UTS2R
SCHEMBL12239172 0.85 SMN1; SMN2 (0.43) UTS2RSCDGPR119MEN1NPC1
Hydrochloric Acid SCHEMBL1006064 0.85 UTS2R (0.47) UTS2RMEN1NPC1TP53HPGD
SCHEMBL1006798 0.84 SCD (0.40) UTS2RSCDGPR119MEN1NPC1
SCHEMBL12262498 0.84 SCN8A (0.42) UTS2RSCDGPR119MEN1NPC1
SCHEMBL1007986 0.83 UTS2R (0.41) UTS2RSCDGPR119MEN1NPC1
SCHEMBL12239186 0.83 SCD (0.42) UTS2RSCDGPR119MEN1NPC1
SCHEMBL1003933 0.82 UTS2R (0.49) UTS2R
SCHEMBL1008624 0.82 GPR119 (0.47) UTS2RGPR119NPC1RAB9ASCN1A
SCHEMBL12239188 0.82 GPR119 (0.42) UTS2RSCDGPR119MEN1NPC1

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 7 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
US-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-27 US disclosed
CN-102056900-A Compounds and compositions as modulators of GPR119 activity IRM LLC 2011-05-11 CN disclosed
EP-2271619-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-01-12 EP disclosed
WO-2009126535-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-15 WO disclosed
WO-2009126535-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-15 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-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR55, NR1H2 UTS2R 265/4885SCD 1145/4885GPR119 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.