SCHEMBL10237752

SCHEMBL10237752

C=C1c2cc(Br)ccc2OC2CCN(C)CC12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.38
AR P10275 1/20 0.33
OPRM1 P35372 2/20 0.32
CHRNB4 P30926 4/20 0.31
CHRNA3 P32297 4/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
OPRK1 P41145 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
CTSD P07339 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL877695 0.85 PBRM1 (0.44) PBRM1ARCTSDBACE1
SCHEMBL878093 0.85 PBRM1 (0.44) PBRM1ARCTSDBACE1
SCHEMBL877318 0.85 PBRM1 (0.44) PBRM1ARCTSDBACE1
SCHEMBL8535309 0.81 PBRM1 (0.35) PBRM1AROPRM1
SCHEMBL9932579 0.78 PBRM1 (0.40) PBRM1AR
SCHEMBL8535428 0.78 PBRM1 (0.40) PBRM1AR
SCHEMBL9932272 0.76 DRD4 (0.41)
SCHEMBL9882137 0.75 BACE1 (0.38) PBRM1ARPIK3CDPIK3CAPIK3CB
SCHEMBL8534011 0.75 BACE1 (0.38) PBRM1ARPIK3CDPIK3CAPIK3CB
SCHEMBL8534008 0.75 BACE1 (0.38) PBRM1ARPIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 PBRM1 3853/4885AR 4769/4885OPRM1 4028/4885

“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.