SCHEMBL15908313

SCHEMBL15908313

CCOc1ccc(Br)c(O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
MAPK8 P45983 1/20 0.39
BTK Q06187 1/20 0.36
HTT P42858 2/20 0.35
ADORA1 P30542 2/20 0.35
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LTA4H P09960 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NQO1 P15559 1/20 0.33
ADORA2A P29274 1/20 0.33
TSHR P16473 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 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
SCHEMBL9931250 0.78 HPGD (0.43) MAPTMAPK8BTKHTTADORA1
SCHEMBL16783076 0.78 BTK (0.37) MAPTMAPK8BTKHTTADORA1
SCHEMBL19671122 0.78 POLB (0.40) NPC1RAB9ATDP1L3MBTL1
SCHEMBL17593270 0.77 BTK (0.36) MAPTMAPK8BTKHTTADORA1
SCHEMBL16804629 0.77 MAPT (0.40) MAPTMAPK8BTKHTTADORA1
SCHEMBL24596246 0.77 GABRA1 (0.40) MAPTMAPK8BTKHTTADORA1
SCHEMBL10187309 0.77 ALDH1A1 (0.39) MAPTMAPK8BTKHTTADORA1
Bromide SCHEMBL2111652 0.76 BTK (0.36) MAPTMAPK8BTKHTTADORA1
SCHEMBL15901388 0.76 HPGD (0.37) MAPTMAPK8BTKHTTADORA1
SCHEMBL27787235 0.74 ADORA1 (0.36) MAPTMAPK8BTKHTTADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877741-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-8877741-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-20140213568-A1 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-31 US 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-20140213568-A1 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof PEPD, PGA5, PYCR1 MAPT 1918/4885MAPK8 4357/4885BTK 4161/4885

“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.