SCHEMBL1333552

SCHEMBL1333552

O=C(OCC1CCCN1c1ccnc2ncnn12)c1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.55
PDE2A O00408 7/20 0.44
PDE3A Q14432 5/20 0.44
CHRNB2 P17787 5/20 0.44
CHRNA4 P43681 5/20 0.44
CHRNA7 P36544 3/20 0.42
CHRNA5 P30532 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL1333550 1.00 METAP2 (0.55) METAP2PDE2APDE3ACHRNB2CHRNA4
SCHEMBL17612846 0.97 METAP2 (0.52) METAP2PDE2APDE3ACHRNB2CHRNA4
SCHEMBL1331931 0.89 METAP2 (0.55) METAP2PDE2APDE3ACHRNB2CHRNA4
SCHEMBL1331485 0.89 METAP2 (0.55) METAP2PDE2APDE3ACHRNB2CHRNA4
SCHEMBL1331482 0.89 METAP2 (0.55) METAP2PDE2APDE3ACHRNB2CHRNA4
SCHEMBL1331935 0.89 METAP2 (0.55) METAP2PDE2APDE3ACHRNB2CHRNA4
SCHEMBL17599723 0.88 METAP2 (0.60) METAP2PDE2APDE3ACHRNB2CHRNA4
SCHEMBL17599722 0.88 METAP2 (0.60) METAP2PDE2APDE3ACHRNB2CHRNA4
SCHEMBL17599695 0.88 METAP2 (0.52) METAP2PDE2APDE3ACHRNB2CHRNA4
SCHEMBL17599696 0.88 METAP2 (0.52) METAP2PDE2APDE3ACHRNB2CHRNA4

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 2 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-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-17 US claimed

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 1/4885PDE2A 2740/4885PDE3A 3249/4885

“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.