SCHEMBL12465724

SCHEMBL12465724

CC1(C)CCc2cc(C(=O)CBr)ccc2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COXFA4 O00483 1/20 0.49
CTSB P07858 1/20 0.47
RXRA P19793 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
SSTR5 P35346 1/20 0.43
GNG2 P59768 1/20 0.42
GNB1 P62873 1/20 0.42
MGAM O43451 5/20 0.41
GAA P10253 5/20 0.41
SI P14410 5/20 0.41
MGAM2 Q2M2H8 5/20 0.41
PKM P14618 2/20 0.41
DAGLA Q9Y4D2 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3880185 0.82 RXRA (0.64) COXFA4CTSBRXRATDP1SSTR5
SCHEMBL6210627 0.82 RXRA (0.50) COXFA4CTSBRXRATDP1SSTR5
SCHEMBL30195971 0.82 RXRA (0.64) COXFA4CTSBRXRATDP1SSTR5
SCHEMBL30026892 0.82 RXRA (0.50) COXFA4CTSBRXRATDP1SSTR5
SCHEMBL3782343 0.81 COXFA4 (0.49) COXFA4CTSBRXRATDP1SSTR5
SCHEMBL18270705 0.81 CTSB (0.46) COXFA4CTSBRXRATDP1SSTR5
SCHEMBL4857018 0.81 CTSB (0.46) COXFA4CTSBRXRATDP1SSTR5
SCHEMBL12467526 0.80 COXFA4 (0.42) COXFA4CTSBRXRATDP1SSTR5
SCHEMBL26054454 0.79 COXFA4 (0.47) COXFA4CTSBRXRATDP1SSTR5
SCHEMBL16742142 0.79 COXFA4 (0.53) COXFA4CTSBRXRATDP1SSTR5

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 COXFA4 3224/4885CTSB 2403/4885RXRA 203/4885

“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.