SCHEMBL12465637

SCHEMBL12465637

CC(=O)N1Cc2ccc(C(=O)CBr)cc2C(C)(C)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 1/20 0.38
GNB1 P62873 1/20 0.38
GSK3B P49841 8/20 0.37
NOTUM Q6P988 3/20 0.37
PTPN1 P18031 5/20 0.37
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP26A1 O43174 1/20 0.34
CYP26B1 Q9NR63 1/20 0.34
MCHR1 Q99705 2/20 0.33

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
SCHEMBL15388711 0.91 GNG2 (0.38) GNG2GNB1GSK3BNOTUMPTPN1
SCHEMBL12465677 0.81 MCHR1 (0.32) NOTUMMCHR1
SCHEMBL6335311 0.74 NOTUM (0.59) NOTUMALDH1A1
SCHEMBL12465927 0.73 MCHR1 (0.33) NOTUMALDH1A1MCHR1
SCHEMBL12620617 0.72 GNG2 (0.53) GNG2GNB1GSK3BPTPN1CYP3A4
SCHEMBL12465638 0.72 NOTUM (0.36) NOTUM
SCHEMBL12620633 0.71 CYP3A4 (0.49) GNG2GNB1GSK3BPTPN1ALDH1A1
SCHEMBL1550094 0.71 CYP3A4 (0.59) ALDH1A1CYP3A4CYP26A1CYP26B1
SCHEMBL11988475 0.71 NOTUM (0.42) NOTUM
SCHEMBL12465855 0.70 RARB (0.44) GSK3BNOTUMALDH1A1CYP3A4CYP26A1

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-2670744-B1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR LUPIN LTD (IN) 2015-05-27 EP disclosed
EP-2670744-B1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR LUPIN LTD (IN) 2015-05-27 EP disclosed
EP-2670744-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR Lupin Limited (IN) 2013-12-11 EP disclosed
US-20130310419-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR LUPIN LIMITED (IN) 2013-11-21 US disclosed
US-20130310419-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR LUPIN LIMITED (IN) 2013-11-21 US disclosed
WO-2012104782-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR LUPIN LIMITED (IN) 2012-08-09 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-20130310419-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR CHRNA7, CHRNE, CHRNA5 GNG2 1600/4885GNB1 1505/4885GSK3B 386/4885

“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.