SCHEMBL2216586

SCHEMBL2216586

Cc1cc(OCCCC2CCN(c3noc(C(C)(F)F)n3)CC2)ccc1C(=O)NC1COC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.47
ACACB O00763 4/20 0.42
ACACA Q13085 3/20 0.42
KCNH2 Q12809 3/20 0.39
TTK P33981 1/20 0.37
RORC P51449 1/20 0.35
RAB9A P51151 2/20 0.35
ABL1 P00519 1/20 0.35
NPC1 O15118 1/20 0.34
RBP4 P02753 1/20 0.34
TTR P02766 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL2214693 0.93 GPR119 (0.48) GPR119ACACBACACAKCNH2TTK
SCHEMBL2219840 0.91 GPR119 (0.42) GPR119ACACBACACAKCNH2TTK
SCHEMBL2216070 0.91 GPR119 (0.42) GPR119ACACBACACAKCNH2TTK
SCHEMBL2217348 0.90 ACACB (0.45) GPR119ACACBACACAKCNH2RAB9A
SCHEMBL2216910 0.90 HDAC4 (0.45) GPR119ACACBACACAKCNH2TTK
SCHEMBL2216904 0.90 HDAC4 (0.45) GPR119ACACBACACAKCNH2TTK
SCHEMBL2214821 0.89 ACACB (0.43) GPR119ACACBACACAKCNH2RAB9A
SCHEMBL2216483 0.89 GPR119 (0.44) GPR119ACACBACACAKCNH2HDAC4
SCHEMBL2216479 0.89 GPR119 (0.44) GPR119ACACBACACAKCNH2HDAC4
SCHEMBL2219354 0.88 ACACB (0.46) GPR119ACACBACACARAB9ANPC1

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 GPR119 1/4885ACACB 2654/4885ACACA 2114/4885

“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.