SCHEMBL7903221

SCHEMBL7903221

c1ccc(OC[C@H]2CCCN2c2ccnc3ncnn23)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.70
ALDH1A1 P00352 1/20 0.43
CHRNB1 P11230 3/20 0.43
CHRNB2 P17787 3/20 0.43
CHRNB4 P30926 3/20 0.43
CHRNA3 P32297 3/20 0.43
CHRNB3 Q05901 3/20 0.43
PDE2A O00408 1/20 0.43
PDE3A Q14432 1/20 0.43
CHRNA1 P02708 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL7903285 0.87 METAP2 (0.60) METAP2PDE2APDE3A
SCHEMBL7901521 0.83 METAP2 (0.70) METAP2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL17599723 0.82 METAP2 (0.60) METAP2CHRNB2PDE2APDE3ACHRNA7
SCHEMBL1333563 0.82 METAP2 (0.78) METAP2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL17599722 0.82 METAP2 (0.60) METAP2CHRNB2PDE2APDE3ACHRNA7
SCHEMBL1332435 0.82 METAP2 (0.78) METAP2PDE2APDE3A
SCHEMBL1332429 0.82 METAP2 (0.78) METAP2PDE2APDE3A
SCHEMBL1333566 0.82 METAP2 (0.78) METAP2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1333041 0.82 METAP2 (1.00) METAP2PDE2A
SCHEMBL1333035 0.81 METAP2 (0.67) METAP2PDE2APDE3A

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 6 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 disclosed
US-8546406-B2 Heterocyclic compounds as metap-2 inhibitors MERCK PATENT GMBH (DE) 2013-10-01 US disclosed
US-8546406-B2 Heterocyclic compounds as metap-2 inhibitors MERCK PATENT GMBH (DE) 2013-10-01 US disclosed
US-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-17 US disclosed
US-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-17 US disclosed
WO-2010083870-A1 NOVEL HETEROCYCLIC COMPOUNDS FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2010-07-29 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-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS METAP2, METAP1, XPNPEP2 METAP2 1/4885ALDH1A1 1917/4885CHRNB1 4299/4885

“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.