SCHEMBL1907283

SCHEMBL1907283

COc1c(C#N)cccc1C#Cc1ccc(C2(NC(=O)O)CCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.34
FFAR1 O14842 5/20 0.33
SLC16A3 O15427 3/20 0.33
DPP4 P27487 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
ACACB O00763 1/20 0.32
PDE4D Q08499 1/20 0.31
OPRM1 P35372 2/20 0.31
OPRL1 P41146 2/20 0.31
PAX8 Q06710 2/20 0.31
SLC22A12 Q96S37 1/20 0.31
CCR1 P32246 1/20 0.31

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
SCHEMBL1905298 0.81 OPRL1 (0.42) VNN1FFAR1ROCK2ROCK1ACACB
SCHEMBL1901967 0.81 FFAR1 (0.39) VNN1FFAR1ROCK2ROCK1PDE4D
SCHEMBL1905635 0.80 ACACB (0.36) FFAR1ROCK2ROCK1ACACB
SCHEMBL1903122 0.79 ACACB (0.50) FFAR1SLC16A3ROCK2ROCK1ACACB
SCHEMBL1899248 0.78 FFAR1 (0.31) FFAR1OPRM1OPRL1
SCHEMBL13254923 0.77 SSTR4 (0.42) VNN1FFAR1DPP4
SCHEMBL1608427 0.76 VNN1 (0.42) VNN1DPP4OPRM1OPRL1
SCHEMBL1900135 0.74 CYP1A2 (0.39) FFAR1ROCK2ROCK1
SCHEMBL1902393 0.74 ROCK2 (0.38) FFAR1ROCK2ROCK1
SCHEMBL1908154 0.74 TRPV4 (0.38) VNN1FFAR1ACACBPDE4DOPRM1

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-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
EP-2496566-A1 AKT / PKB INHIBITORS Almac Discovery Limited (GB) 2012-09-12 EP disclosed
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 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-20120309739-A1 AKT / PKB INHIBITORS AKT1, AKT2, AKT3 VNN1 3559/4885FFAR1 2591/4885SLC16A3 3288/4885

“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.