SCHEMBL2544677

SCHEMBL2544677

c1ccc(-c2cccc(OC[C@H]3CCCN3c3ncnc4[nH]cnc34)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 9/20 0.56
CHRNB4 P30926 8/20 0.48
CHRNA3 P32297 8/20 0.48
CHRNB1 P11230 5/20 0.48
CHRNB2 P17787 5/20 0.48
CHRNB3 Q05901 5/20 0.48
FFAR2 O15552 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
SCHEMBL2544681 1.00 METAP2 (0.56) METAP2CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL2542524 0.91 METAP2 (0.55) METAP2CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL2542532 0.91 METAP2 (0.55) METAP2CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL2200916 0.91 METAP2 (0.56) METAP2CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL3602228 0.91 METAP2 (0.56) METAP2CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL2200911 0.91 METAP2 (0.56) METAP2CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL2198675 0.87 METAP2 (0.73) METAP2CHRNB4CHRNA3
SCHEMBL2198683 0.87 METAP2 (0.73) METAP2CHRNB4CHRNA3
SCHEMBL2546885 0.84 METAP2 (0.55) METAP2FFAR2
SCHEMBL2546881 0.84 METAP2 (0.55) METAP2FFAR2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2288351-B1 NOVEL PYRROLIDONE DERIVATIVES FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2018-08-08 EP claimed
US-8846694-B2 Pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2014-09-30 US claimed
US-20110263561-A1 Novel pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2011-10-27 US claimed
EP-2288351-B1 NOVEL PYRROLIDONE DERIVATIVES FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2018-08-08 EP disclosed
EP-2288351-B1 NOVEL PYRROLIDONE DERIVATIVES FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2018-08-08 EP disclosed
US-8846694-B2 Pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
US-8846694-B2 Pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
US-8846694-B2 Pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
US-20110263561-A1 Novel pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2011-10-27 US disclosed
US-20110263561-A1 Novel pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2011-10-27 US disclosed
US-20110263561-A1 Novel pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2011-10-27 US disclosed
WO-2010003475-A2 NOVEL PYRROLIDONE DERIVATIVES FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2010-01-14 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-20110263561-A1 Novel pyrrolidone derivatives for use as MetAP-2 inhibitors METAP2, METAP1, ENPEP METAP2 1/4885CHRNB4 4808/4885CHRNA3 4757/4885

“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.