SCHEMBL2218219

SCHEMBL2218219

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 8/20 0.42
HDAC6 Q9UBN7 6/20 0.42
ACACB O00763 3/20 0.42
ACACA Q13085 2/20 0.42
GPR119 Q8TDV5 4/20 0.40
HRH3 Q9Y5N1 2/20 0.38
RAF1 P04049 1/20 0.37
HDAC1 Q13547 1/20 0.37
AXL P30530 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
SCHEMBL2217202 0.96 HDAC4 (0.42) HDAC4HDAC6ACACBACACAGPR119
SCHEMBL2217692 0.95 HDAC4 (0.48) HDAC4HDAC6GPR119HDAC1
SCHEMBL2217895 0.93 ACACB (0.44) HDAC4HDAC6ACACBACACAGPR119
SCHEMBL2215455 0.92 ACACB (0.44) HDAC4HDAC6ACACBACACAGPR119
SCHEMBL2218683 0.91 GPR119 (0.38) HDAC4HDAC6ACACBACACAGPR119
SCHEMBL2218651 0.91 ACACB (0.42) ACACBACACAGPR119HRH3
SCHEMBL2214951 0.89 GPR119 (0.41) HDAC4HDAC6ACACBACACAGPR119
SCHEMBL2217348 0.89 ACACB (0.45) ACACBACACAGPR119
SCHEMBL1842679 0.89 HRH3 (0.44) ACACBACACAGPR119HRH3
SCHEMBL2217000 0.89 GPR119 (0.42) HDAC4HDAC6ACACBACACAGPR119

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 HDAC4 2047/4885HDAC6 1981/4885ACACB 2654/4885

“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.