SCHEMBL1333035

SCHEMBL1333035

O=C(O)Cc1ccccc1OCC1CCCN1c1ccnc2ncnn12

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 8/20 0.67
PDE2A O00408 9/20 0.43
PDE3A Q14432 4/20 0.43
PDE3B Q13370 2/20 0.42
FFAR1 O14842 2/20 0.36

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
SCHEMBL1333032 1.00 METAP2 (0.67) METAP2PDE2APDE3APDE3BFFAR1
SCHEMBL7903221 0.81 METAP2 (0.70) METAP2PDE2APDE3A
SCHEMBL17599723 0.80 METAP2 (0.60) METAP2PDE2APDE3APDE3B
SCHEMBL1333041 0.80 METAP2 (1.00) METAP2PDE2APDE3B
SCHEMBL17599722 0.80 METAP2 (0.60) METAP2PDE2APDE3APDE3B
SCHEMBL1333295 0.78 METAP2 (0.61) METAP2PDE2APDE3APDE3B
SCHEMBL1332429 0.78 METAP2 (0.78) METAP2PDE2APDE3APDE3B
SCHEMBL1332435 0.78 METAP2 (0.78) METAP2PDE2APDE3APDE3B
SCHEMBL1331451 0.77 METAP2 (0.78) METAP2
SCHEMBL1331456 0.77 METAP2 (0.78) METAP2

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-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.