SCHEMBL2217846

SCHEMBL2217846

Cc1cc(OCCCC2CCN(c3noc(CN4CCCC4)n3)CC2)ccc1C(=O)NC[C@H](O)CO

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.38
ACACA Q13085 1/20 0.38
POLB P06746 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MCHR1 Q99705 1/20 0.36
HRH3 Q9Y5N1 4/20 0.35
MAOA P21397 2/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
MAOB P27338 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 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
SCHEMBL2217852 1.00 ACACB (0.38) ACACBACACAPOLBGPR119MEN1
SCHEMBL2216319 0.91 HRH3 (0.41) ACACBACACAGPR119HRH3
SCHEMBL2217772 0.91 ACACB (0.40) ACACBACACAGPR119HRH3
SCHEMBL2218938 0.91 ACACB (0.40) ACACBACACAGPR119HRH3NPC1
SCHEMBL2215991 0.89 ACACB (0.39) ACACBACACAGPR119HRH3NPC1
SCHEMBL2215997 0.89 ACACB (0.39) ACACBACACAGPR119HRH3NPC1
SCHEMBL13536270 0.89 GPR119 (0.40) ACACBACACAPOLBGPR119MEN1
SCHEMBL2217126 0.89 ACACB (0.38) ACACBACACAGPR119HRH3NPC1
SCHEMBL2214670 0.89 HRH3 (0.40) ACACBACACAPOLBGPR119MCHR1
SCHEMBL2215531 0.88 ACACB (0.39) ACACBACACAGPR119HRH3NPC1

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 2114/4885POLB 4792/4885

“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.