SCHEMBL2233765

SCHEMBL2233765

c1nc2c(cc1N1CCCCC1)NCCC2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 0.38
CHRNA4 P43681 14/20 0.38
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.35
CYP11B2 P19099 1/20 0.34
CHKA P35790 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
SCHEMBL2124845 0.78 POLB (0.39) CHRNB2CHRNA4KDM4EMAPT
SCHEMBL31477567 0.71 CYP11B2 (0.38) KDM4EMAPTCYP11B2
SCHEMBL20595703 0.71 DYRK1A (0.33) CHRNB2CHRNA4KDM4EMAPTCYP11B2
SCHEMBL15530013 0.71 NNMT (0.34) KDM4EMAPTCYP11B2
SCHEMBL13532371 0.71 UHRF1 (0.36) KDM4EMAPTCYP11B2
SCHEMBL12942080 0.69 ALDH1A1 (0.36) KDM4EMAPTCYP11B2
SCHEMBL4980570 0.68 GAA (0.36) KDM4EMAPTCYP11B2
SCHEMBL12903038 0.68 HTR1D (0.34) CYP11B2
SCHEMBL1745093 0.68 ADRA2A (0.38) CYP11B2
SCHEMBL30061418 0.67 CHRNB2 (0.49) CHRNB2CHRNA4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2070914-B1 New antagonist derivatives of the vitronectin receptor, method for their preparation, their application as medicine and pharmaceutical compositions containing them GALAPAGOS SAS (FR) 2011-08-03 EP disclosed
US-7763621-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2010-07-27 US disclosed
US-7582640-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2009-09-01 US disclosed
EP-2070914-A1 New antagonist derivatives of the vitronectin receiver, method for preparing same, application of same as medicine and pharmaceutical compositions containing them Galapagos SAS (FR) 2009-06-17 EP disclosed
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS 2009-06-11 US disclosed
EP-1565467-B1 NOVEL VITRONECTIN RECEPTOR ANTAGONIST DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME GALAPAGOS SAS (FR) 2009-05-20 EP disclosed
US-20060052398-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS NV (BE) 2006-03-09 US disclosed
EP-1565467-A1 NOVEL VITRONECTIN RECEPTOR ANTAGONIST DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Proskelia SAS (FR) 2005-08-24 EP disclosed
WO-2004048375-A1 NOVEL VITRONECTIN RECEPTOR ANTAGONIST DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME PROSKELIA SAS (FR) 2004-06-10 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 (2 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-20060052398-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same ADGRF1, C5AR2, ADGRE5 CHRNB2 197/4885CHRNA4 260/4885KDM4E 4730/4885
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same ADGRF1, C5AR2, ADGRE5 CHRNB2 197/4885CHRNA4 260/4885KDM4E 4730/4885

“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.