SCHEMBL3616012

SCHEMBL3616012

O=C(O)NCC1C2CN(C(=O)Cc3cccc(C4CCCC4)c3O)CC12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPY5R Q15761 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
C3AR1 Q16581 1/20 0.33
MAPK1 P28482 1/20 0.33
NAAA Q02083 1/20 0.32

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
SCHEMBL3621580 0.86 C3AR1 (0.36) FNTAFNTBMEN1KMT2AALDH1A1
SCHEMBL3619709 0.84 FNTA (0.36) FNTAFNTBMEN1KMT2AALDH1A1
SCHEMBL3619285 0.80 NAAA (0.34) FNTAFNTBMEN1KMT2AALDH1A1
SCHEMBL3617194 0.75 FNTA (0.32) FNTAFNTBMEN1KMT2AKDM4E
SCHEMBL4618127 0.73 CDK5 (0.34)
SCHEMBL1998542 0.73 PTGDR2 (0.47) NAAA
SCHEMBL27892012 0.73 PTGDR2 (0.40) MEN1KMT2AKDM4ENAAA
SCHEMBL4620320 0.73 ACKR3 (0.35)
SCHEMBL3983073 0.72 PTGDR2 (0.49) MEN1KMT2AKDM4ENAAA
SCHEMBL4969723 0.72 PTGDR2 (0.49) MEN1KMT2AKDM4ENAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-01-21 US claimed
US-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-01-21 US disclosed
EP-1828174-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-09-05 EP disclosed
WO-2006054162-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-05-26 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-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 FNTA 1555/4885FNTB 2066/4885MEN1 2033/4885

“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.