SCHEMBL1333293

SCHEMBL1333293

c1cc(COC[C@H]2CCCN2c2ccnc3ncnn23)ccn1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.58
PDE2A O00408 9/20 0.38
PREP P48147 1/20 0.37
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNB3 Q05901 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 5/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1332422 0.87 METAP2 (0.59) METAP2PDE2ACHRNB1CHRNB2CHRNB4
SCHEMBL1331999 0.85 METAP2 (0.56) METAP2PDE2APREPPDE3AKDM4E
SCHEMBL1332003 0.85 METAP2 (0.56) METAP2PDE2APREPPDE3AKDM4E
SCHEMBL1331518 0.83 METAP2 (0.57) METAP2PDE2APREPPDE3AEGLN2
SCHEMBL1333094 0.83 METAP2 (0.57) METAP2PDE2APDE3AKDM4EALDH1A1
SCHEMBL1331962 0.83 METAP2 (0.57) METAP2PDE2APDE3AEGLN2
SCHEMBL1332488 0.82 METAP2 (0.55) METAP2PDE2APREPPDE3AEGLN2
SCHEMBL1333351 0.82 METAP2 (0.55) METAP2PDE2ACHRNB4CHRNA3PDE3A
SCHEMBL1333313 0.81 METAP2 (0.55) METAP2PDE2APDE3AKDM4EALDH1A1
SCHEMBL1333316 0.81 METAP2 (0.55) METAP2PDE2APDE3AKDM4EALDH1A1

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
US-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-17 US claimed
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 1/4885PDE2A 2740/4885PREP 15/4885

“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.