SCHEMBL12465617

SCHEMBL12465617

CC(=O)N1CCC(C)(C)c2ccc(C(=O)CBr)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.41
RARA P10276 5/20 0.41
RARG P13631 3/20 0.41
NOTUM Q6P988 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP26A1 O43174 1/20 0.38
CYP26B1 Q9NR63 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
RXRA P19793 3/20 0.36
RXRB P28702 3/20 0.36
GSK3B P49841 3/20 0.36
PTPN1 P18031 1/20 0.36
RXRG P48443 2/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL12465855 0.90 RARB (0.44) RARBRARARARGNOTUMALDH1A1
SCHEMBL12465600 0.82 RARB (0.41) RARBRARARARGNOTUMALDH1A1
SCHEMBL6223570 0.80 RARG (0.40) RARBRARARARGNOTUMALDH1A1
SCHEMBL11988470 0.78 NOTUM (0.51) RARBRARARARGNOTUMKDM4E
SCHEMBL4872561 0.77 NOTUM (0.44) RARBRARARARGNOTUM
SCHEMBL1550094 0.76 CYP3A4 (0.59) RARBRARARARGALDH1A1CYP3A4
SCHEMBL4872661 0.75 LMNA (0.44) NOTUMALDH1A1HPGDKDM4EMAPT
SCHEMBL10558185 0.74 NOTUM (0.44) RARBRARARARGNOTUMMAPT
SCHEMBL6221173 0.73 RXRA (0.39) RARBRARARARGNOTUMCYP26A1
SCHEMBL10560315 0.73 NOTUM (0.71) NOTUMALDH1A1KDM4E

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 RARB 1245/4885RARA 1083/4885RARG 972/4885

“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.