SCHEMBL5090735

SCHEMBL5090735

COc1ccc(C#CC2=CCN(C(=O)O)CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.43
HAO1 Q9UJM8 2/20 0.42
ACACB O00763 8/20 0.42
NNMT P40261 1/20 0.35
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
KCNH2 Q12809 1/20 0.34
GPR183 P32249 1/20 0.34
PIK3CG P48736 1/20 0.33

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
SCHEMBL4048946 0.84 GRM5 (0.42) GRM5ACACBKCNH2GPR183
SCHEMBL2285672 0.80 GRM5 (0.42) GRM5
SCHEMBL28811006 0.76 GRM5 (0.47) GRM5HAO1
SCHEMBL22324962 0.76 QDPR (0.47) KCNH2
SCHEMBL8675743 0.76 GRM5 (0.49) GRM5
SCHEMBL4536276 0.75 GRM5 (0.40) GRM5
SCHEMBL5102974 0.73 HAO1 (0.40) GRM5HAO1ACACBNNMT
SCHEMBL20599946 0.73 GRM5 (0.56) GRM5
SCHEMBL2290995 0.71 GRM5 (0.44) GRM5KCNH2
SCHEMBL2892482 0.71 GRM5 (0.43) GRM5KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004317-A1 Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004317-A1 Compounds CYP1A2, CYP2D6, F12 GRM5 3038/4885HAO1 3263/4885ACACB 2911/4885

“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.