SCHEMBL2262865

SCHEMBL2262865

COc1ccccc1-c1cc(C=C2CCCN=C2c2cccnc2)ccc1F

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.58
CHRNB4 P30926 2/20 0.58
CHRNA3 P32297 2/20 0.58
CHRNA7 P36544 2/20 0.58
CHRNA4 P43681 2/20 0.58
CHRNA1 P02708 1/20 0.58
CHRNG P07510 1/20 0.58
CHRNB1 P11230 1/20 0.58
CHRND Q07001 1/20 0.58
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
BRCA1 P38398 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL2262860 1.00 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2260625 0.93 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2260620 0.93 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2256964 0.92 CHRNB2 (0.62) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2256961 0.92 CHRNB2 (0.62) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2260813 0.90 KDM4E (0.52) KDM4EMEN1ALDH1A1CYP3A4MAPT
SCHEMBL2260817 0.90 KDM4E (0.52) KDM4EMEN1ALDH1A1CYP3A4MAPT
SCHEMBL2261061 0.89 KDM4E (0.59) KDM4EMEN1ALDH1A1CYP3A4MAPT
SCHEMBL2261064 0.89 KDM4E (0.59) KDM4EMEN1ALDH1A1CYP3A4MAPT
SCHEMBL2264553 0.89

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-20070232651-A1 Novel anabaseine derivatives, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH 2007-10-04 US claimed
WO-2007089626-A2 ANABASEINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CRITICAL THERAPEUTICS, INC (US) 2007-08-09 WO claimed
US-8008499-B2 Anabaseine derivatives, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2011-08-30 US disclosed
US-20100311773-A1 NOVEL ANABASEINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF Cornerstone Therapeutic, Inc. (US) 2010-12-09 US disclosed
US-7662965-B2 3-(3-(2,5-dichlorophenyl)furan-2-yl)methylene)-3,4,5,6-tetrahydropyridin-2-yl)pyridine; antiinflammatory agent for inhibiting cytokine release from mammalian cells; treating CNS disorders; agonists of nicotinic acetylcholine receptors CORNERSTONE THERAPEUTICS, INC. (US) 2010-02-16 US disclosed
US-20070232651-A1 Novel anabaseine derivatives, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH 2007-10-04 US 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-20070232651-A1 Novel anabaseine derivatives, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA10, CHRNA5 CHRNB2 9/4885CHRNB4 11/4885CHRNA3 10/4885
US-20100311773-A1 NOVEL ANABASEINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA10, CHRNA5 CHRNB2 9/4885CHRNB4 11/4885CHRNA3 10/4885

“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.