SCHEMBL1333159

SCHEMBL1333159

c1ccc2c(OC[C@H]3CCCN3c3ncnc4ncnn34)cccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 11/20 1.00
FAAH O00519 2/20 0.43
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
PDE2A O00408 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38

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
SCHEMBL1333041 0.86 METAP2 (1.00) METAP2FAAHNOS3NOS1NOS2
SCHEMBL1331537 0.77 METAP2 (0.82) METAP2CHRNB4CHRNA3
SCHEMBL1331539 0.77 METAP2 (0.82) METAP2CHRNB4CHRNA3
SCHEMBL2548665 0.76 METAP2 (0.71) METAP2FAAHCHRNB4CHRNA3
SCHEMBL1333566 0.76 METAP2 (0.78) METAP2PDE2ACHRNB4CHRNA3
SCHEMBL2548670 0.76 METAP2 (0.71) METAP2FAAHCHRNB4CHRNA3
SCHEMBL1333563 0.76 METAP2 (0.78) METAP2PDE2ACHRNB4CHRNA3
SCHEMBL1331451 0.74 METAP2 (0.78) METAP2CHRNB4CHRNA3
SCHEMBL1331456 0.74 METAP2 (0.78) METAP2CHRNB4CHRNA3
SCHEMBL1332429 0.74 METAP2 (0.78) METAP2PDE2A

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
EP-2379558-B1 NOVEL HETEROCYCLIC COMPOUNDS FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2016-03-23 EP claimed
US-8546406-B2 Heterocyclic compounds as metap-2 inhibitors MERCK PATENT GMBH (DE) 2013-10-01 US claimed
US-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-17 US claimed
EP-2379558-B1 NOVEL HETEROCYCLIC COMPOUNDS FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2016-03-23 EP 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-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS METAP2, METAP1, XPNPEP2 METAP2 1/4885FAAH 1242/4885NOS3 3549/4885

“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.