SCHEMBL2216403

SCHEMBL2216403

Cc1cc(OCCCC2CCN(c3noc(COC(C)C)n3)CC2)ccc1C(=O)N[C@H](C)CO

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.40
ACACA Q13085 1/20 0.40
HRH3 Q9Y5N1 9/20 0.39
GPR119 Q8TDV5 3/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AXL P30530 2/20 0.35
GSTP1 P09211 1/20 0.35

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
SCHEMBL2215794 0.91 ACACB (0.41) ACACBACACAHRH3GPR119AXL
SCHEMBL1842679 0.91 HRH3 (0.44) ACACBACACAHRH3GPR119
SCHEMBL2217491 0.90 HRH3 (0.46) HRH3
SCHEMBL2219199 0.90 ACACB (0.40) ACACBACACAHRH3GPR119NPC1
SCHEMBL2217126 0.89 ACACB (0.38) ACACBACACAHRH3GPR119NPC1
SCHEMBL2214670 0.89 HRH3 (0.40) ACACBACACAHRH3GPR119AXL
SCHEMBL2371332 0.88 GPR119 (0.42) ACACBACACAHRH3GPR119NPC1
SCHEMBL2215398 0.88 ACACB (0.40) ACACBACACAHRH3GPR119AXL
SCHEMBL2216773 0.87 GPR119 (0.40) ACACBACACAHRH3GPR119AXL
SCHEMBL2217202 0.87 HDAC4 (0.42) ACACBACACAHRH3GPR119AXL

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 2114/4885HRH3 406/4885

“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.