SCHEMBL7905968

SCHEMBL7905968

Clc1nccc(N2CCC[C@@H]2COc2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
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
CHRNA4 P43681 2/20 0.43
CHRNA1 P02708 1/20 0.43
CHRNA7 P36544 1/20 0.43
METAP2 P50579 2/20 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
SCHEMBL1331859 0.83 METAP2 (0.62) METAP2
SCHEMBL1331448 0.83 METAP2 (0.62) METAP2
SCHEMBL7901527 0.82 CHRNB1 (0.41) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL9241453 0.76 FFAR1 (0.55) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL2640795 0.76 HPGD (0.42)
SCHEMBL30748784 0.73 NUDT1 (0.38)
SCHEMBL7903221 0.72 METAP2 (0.70) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL7901521 0.72 METAP2 (0.70) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL4580268 0.72 NUDT1 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL8508239 0.71 PDE10A (0.49) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3

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 CHRNB1 4299/4885CHRNB2 4112/4885CHRNB4 4849/4885

“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.