SCHEMBL940026

SCHEMBL940026

N#CC(=C1CCN(C(=O)O)CC1)c1ccno1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
GPR6 P46095 2/20 0.33
CSF1R P07333 1/20 0.33
ACE2 Q9BYF1 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
CHRM2 P08172 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
RORC P51449 1/20 0.30
PROKR1 Q8TCW9 2/20 0.30

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
SCHEMBL3388679 0.76 CHRNA4 (0.35) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2490804 0.74 CHRNB2 (0.43) CHRNA4CHRNB2FNTAFNTBKMT2A
SCHEMBL27152941 0.73 HSD11B1 (0.39) PROKR1
SCHEMBL28392718 0.70 MEN1 (0.44) KMT2AMEN1PROKR1
SCHEMBL27166111 0.68 PROKR1 (0.54) PROKR1
SCHEMBL27490088 0.66 CHRNA4 (0.54) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17684678 0.66 MAPT (0.45) KMT2AMEN1
Water SCHEMBL27334970 0.65
SCHEMBL3134009 0.65
SCHEMBL15939328 0.65 BPTF (0.32) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524722-B2 Substituted tricyclic compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-03 US disclosed
EP-2212332-B1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2012-10-24 EP disclosed
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
EP-2212332-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-08-04 EP disclosed
WO-2009033581-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 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-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, CYP11B1, CYP11A1 CHRNA4 4625/4885CHRNB2 4676/4885CHRNB4 4681/4885

“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.