SCHEMBL12445267

SCHEMBL12445267

COc1ccc(N2CCOC2=O)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 5/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
PDE10A Q9Y233 1/20 0.41
MCOLN3 Q8TDD5 2/20 0.41
MIF P14174 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9997046 0.89 PIK3CA (0.46) PIK3CAMTORKMT2ALMNAKDM4E
SCHEMBL30602385 0.89 PIK3CA (0.46) PIK3CAMTORKMT2ALMNAKDM4E
SCHEMBL17151142 0.84 PIK3CA (0.47) PIK3CAMTORLMNAALDH1A1PDE10A
SCHEMBL20180817 0.83 PIK3CA (0.46) PIK3CAMTORLMNAPDE10AMIF
SCHEMBL15651208 0.81 PIK3CA (0.47) PIK3CAMTORLMNAHTTMAPT
SCHEMBL30884507 0.81 PIK3CA (0.47) PIK3CAMTORLMNAHTTMAPT
SCHEMBL17148220 0.81 PIK3CA (0.44) PIK3CAMTORLMNAALDH1A1PDE10A
SCHEMBL21376420 0.81 PIK3CA (0.44) PIK3CAMTORKMT2AMEN1ALDH1A1
SCHEMBL14146011 0.80 PIK3CA (0.46) PIK3CAMTORLMNAPDE10AMIF
SCHEMBL4655082 0.79 ALDH1A1 (0.48) PIK3CAMTORKMT2ALMNAHTT

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-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
WO-2011098776-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-18 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-20130053372-A1 5-HT RECEPTOR MODULATORS HTR1B, HTR5A, HTR1A PIK3CA 1740/4885MTOR 1502/4885KMT2A 2405/4885

“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.