SCHEMBL1908154

SCHEMBL1908154

CCOc1cc(C#N)ccc1C#Cc1ccc(C2(NC(=O)O)CCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.38
FFAR1 O14842 2/20 0.38
OPRM1 P35372 4/20 0.37
OPRL1 P41146 4/20 0.37
VNN1 O95497 1/20 0.37
ACACB O00763 2/20 0.36
XDH P47989 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.35
DGAT2 Q96PD7 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL1905298 0.89 OPRL1 (0.42) FFAR1OPRM1OPRL1VNN1ACACB
SCHEMBL1901967 0.82 FFAR1 (0.39) FFAR1OPRM1OPRL1VNN1PTGDR2
SCHEMBL1608427 0.76 VNN1 (0.42) OPRM1OPRL1VNN1
SCHEMBL1907283 0.74 VNN1 (0.34) FFAR1OPRM1OPRL1VNN1ACACB
SCHEMBL13254923 0.72 SSTR4 (0.42) FFAR1VNN1
SCHEMBL1902393 0.72 ROCK2 (0.38) FFAR1
SCHEMBL9900730 0.71 VNN1 (0.40) OPRM1OPRL1VNN1
SCHEMBL1903122 0.70 ACACB (0.50) FFAR1ACACB
SCHEMBL1900135 0.70 CYP1A2 (0.39) FFAR1PTGDR2
SCHEMBL1903847 0.70 HDAC3 (0.35) VNN1ACACB

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 TRPV4 4313/4885FFAR1 2591/4885OPRM1 4000/4885

“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.