SCHEMBL2217348

SCHEMBL2217348

CNC(=O)c1ccc(OCCCC2CCN(c3noc(C(C)(F)F)n3)CC2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.45
ACACA Q13085 4/20 0.45
GPR119 Q8TDV5 3/20 0.43
SCN9A Q15858 6/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38
RBP4 P02753 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2219354 0.92 ACACB (0.46) ACACBACACAGPR119NPC1RAB9A
SCHEMBL1841648 0.91 ACACB (0.46) ACACBACACAGPR119NPC1RAB9A
SCHEMBL1842786 0.91 ACACB (0.47) ACACBACACAGPR119RBP4NPC1
SCHEMBL2214821 0.91 ACACB (0.43) ACACBACACAGPR119KCNH2NPC1
SCHEMBL2218368 0.91 ACACB (0.43) ACACBACACAGPR119KCNH2NPC1
SCHEMBL2216309 0.90 ACACB (0.46) ACACBACACAGPR119SCN9ARBP4
SCHEMBL2217895 0.90 ACACB (0.44) ACACBACACAGPR119NPC1RAB9A
SCHEMBL13536322 0.90 ACACB (0.42) ACACBACACAGPR119KCNH2NPC1
SCHEMBL2220474 0.90 ACACB (0.44) ACACBACACAGPR119KCNH2NPC1
SCHEMBL2216586 0.90 GPR119 (0.47) ACACBACACAGPR119KCNH2RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178054-A1 Heterocyclic GPCR Agonists PROSIDION LIMITED (GB) 2011-07-21 US disclosed
US-20110178054-A1 Heterocyclic GPCR Agonists PROSIDION LIMITED (GB) 2011-07-21 US disclosed
US-20110178054-A1 Heterocyclic GPCR Agonists PROSIDION LIMITED (GB) 2011-07-21 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-20110178054-A1 Heterocyclic GPCR Agonists GPR119, GCGR, GPR27 ACACB 2654/4885ACACA 2114/4885GPR119 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.