SCHEMBL2215531

SCHEMBL2215531

CCN(C)Cc1nc(N2CCC(CCCOc3ccc(C(=O)NC[C@H](O)CO)c(C)c3)CC2)no1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.39
ACACA Q13085 6/20 0.39
GPR119 Q8TDV5 2/20 0.36
S1PR1 P21453 5/20 0.33
S1PR3 Q99500 5/20 0.33
RAB9A P51151 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PRMT5 O14744 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL2215991 0.94 ACACB (0.39) ACACBACACAGPR119RAB9AHRH3
SCHEMBL2215997 0.94 ACACB (0.39) ACACBACACAGPR119RAB9AHRH3
SCHEMBL13536455 0.90 ACACB (0.40) ACACBACACAGPR119RAB9ANPC1
SCHEMBL2218938 0.89 ACACB (0.40) ACACBACACAGPR119RAB9AHRH3
SCHEMBL2217772 0.89 ACACB (0.40) ACACBACACAGPR119HRH3
SCHEMBL2215398 0.89 ACACB (0.40) ACACBACACAGPR119HRH3
SCHEMBL2216319 0.88 HRH3 (0.41) ACACBACACAGPR119HRH3
SCHEMBL2217126 0.88 ACACB (0.38) ACACBACACAGPR119RAB9AHRH3
SCHEMBL2217846 0.88 ACACB (0.38) ACACBACACAGPR119S1PR1S1PR3
SCHEMBL2217852 0.88 ACACB (0.38) ACACBACACAGPR119S1PR1S1PR3

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.