SCHEMBL5454142

SCHEMBL5454142

N[C@H]1CN(c2ccccc2)C[C@@H]1c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 12/20 0.50
MAOB P27338 10/20 0.50
KCNH2 Q12809 3/20 0.50
RCOR1 Q9UKL0 3/20 0.50
DPP4 P27487 3/20 0.50
KDM1B Q8NB78 2/20 0.50
CYP2C19 P33261 5/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP3A4 P08684 2/20 0.42
RECQL P46063 1/20 0.42
RORC P51449 1/20 0.40
MAOA P21397 7/20 0.40
CYP2B6 P20813 3/20 0.40
TAAR1 Q96RJ0 2/20 0.40
LMNA P02545 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2A6 P11509 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
SCHEMBL5454146 1.00 KDM1A (0.50) KDM1AMAOBKCNH2RCOR1DPP4
SCHEMBL5454149 1.00 KDM1A (0.50) KDM1AMAOBKCNH2RCOR1DPP4
SCHEMBL5188216 0.75 CYP2C9 (0.40) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL5188204 0.75 CYP2C9 (0.40) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL5188210 0.75 CYP2C9 (0.40) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL5188052 0.74 RORC (0.68) KDM1AMAOBKCNH2RCOR1DPP4
SCHEMBL5188039 0.74 RORC (0.68) KDM1AMAOBKCNH2RCOR1DPP4
SCHEMBL5188045 0.74 RORC (0.68) KDM1AMAOBKCNH2RCOR1DPP4
SCHEMBL5186751 0.73 KDM1A (0.53) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL5186738 0.73 KDM1A (0.53) KDM1AMAOBKCNH2RCOR1KDM1B

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-20070270471-A1 Compounds Which Potentiate Glutamate Receptor and Uses Thereof in Medicine GLAXO GROUP LIMITED (GB) 2007-11-22 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-20070270471-A1 Compounds Which Potentiate Glutamate Receptor and Uses Thereof in Medicine GRM3, GLRA3, GLRA1 KDM1A 3089/4885MAOB 1272/4885KCNH2 562/4885

“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.