SCHEMBL4171081

SCHEMBL4171081

N[C@H]1CCO[C@H]1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.48
MAOA P21397 7/20 0.48
CYP2C19 P33261 6/20 0.48
KDM1A O60341 5/20 0.48
CYP2B6 P20813 3/20 0.48
TAAR1 Q96RJ0 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
LMNA P02545 2/20 0.48
SLC6A2 P23975 2/20 0.48
ADRA1A P35348 2/20 0.48
SLC6A3 Q01959 2/20 0.48
HTR1A P08908 2/20 0.48
CYP3A4 P08684 1/20 0.48
ADRA2A P08913 1/20 0.48
CYP2A6 P11509 1/20 0.48
HTR2C P28335 1/20 0.48
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL4171085 1.00 MAOB (0.48) MAOBMAOACYP2C19KDM1ACYP2B6
SCHEMBL4171082 1.00 MAOB (0.48) MAOBMAOACYP2C19KDM1ACYP2B6
SCHEMBL25946465 0.87 SMN1; SMN2 (0.47) MAOBMAOACYP2C19KDM1ACYP2B6
Trifluoromethanesulfonic Acid SCHEMBL4169047 0.82 KDM4E (0.46) MAOBMAOACYP2C19KDM1ACYP2B6
Trifluoromethanesulfonic Acid SCHEMBL4169045 0.82 KDM4E (0.46) MAOBMAOACYP2C19KDM1ACYP2B6
SCHEMBL28625663 0.81 CHRNA7 (0.50) MAOBKDM1ATAAR1SLC6A2SLC6A3
SCHEMBL4790557 0.77 SMN1; SMN2 (0.46) MAOBMAOACYP2C19KDM1ACYP2B6
SCHEMBL17029481 0.76 SLC6A2 (0.53) CYP2C19CYP2D6SLC6A2ADRA1ASLC6A3
SCHEMBL13778756 0.76 SLC6A2 (0.53) CYP2C19CYP2D6SLC6A2ADRA1ASLC6A3
SCHEMBL4171302 0.76 SMN1; SMN2 (0.44) CYP2C19CYP1A2CYP2D6CYP2C9SLC6A2

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-20090170902-A1 COMPOUNDS WHICH POTENTIATE GLUTAMATE RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-07-02 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-20090170902-A1 COMPOUNDS WHICH POTENTIATE GLUTAMATE RECEPTOR AND USES THEREOF IN MEDICINE GRIN1, GRM1, GRIN2C MAOB 2357/4885MAOA 2411/4885CYP2C19 2149/4885

“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.