SCHEMBL2214517

SCHEMBL2214517

Cc1cc(OCCCC2CCN(c3noc(C(C)(F)F)n3)CC2)ccc1C(=O)NCCC1CNC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.42
ACACA Q13085 3/20 0.42
GPR119 Q8TDV5 4/20 0.42
CETP P11597 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
RAB9A P51151 2/20 0.34
ACHE P22303 1/20 0.34
NPC1 O15118 1/20 0.34
CHRM4 P08173 3/20 0.34

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
SCHEMBL2220878 0.96 GPR119 (0.42) ACACBACACAGPR119CETPCHRM2
SCHEMBL2214821 0.92 ACACB (0.43) ACACBACACAGPR119CETPCHRM2
SCHEMBL13536322 0.92 ACACB (0.42) ACACBACACAGPR119CETPRAB9A
SCHEMBL2220474 0.92 ACACB (0.44) ACACBACACAGPR119CETPCHRM2
SCHEMBL12513056 0.91 ACACB (0.40) ACACBACACAGPR119RAB9A
SCHEMBL2219354 0.91 ACACB (0.46) ACACBACACAGPR119RAB9ANPC1
SCHEMBL2217348 0.89 ACACB (0.45) ACACBACACAGPR119RAB9ANPC1
SCHEMBL2216904 0.89 HDAC4 (0.45) ACACBACACAGPR119
SCHEMBL2216910 0.89 HDAC4 (0.45) ACACBACACAGPR119
SCHEMBL2216040 0.89 GPR119 (0.43) ACACBACACAGPR119CETPCHRM2

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 4 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
WO-2010004348-A1 HETEROCYCLIC GPCR AGONISTS PROSIDION LIMITED (GB) 2010-01-14 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-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.