SCHEMBL4181822

SCHEMBL4181822

Ic1cccc(CN(c2ccccn2)C2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 5/20 0.38
S1PR3 Q99500 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD1 P21728 1/20 0.37
HTR2A P28223 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL8808223 0.78 SMN1; SMN2 (0.58) SLC6A2SLC6A4SLC6A3SMN1; SMN2LMNA
SCHEMBL4183914 0.78 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CHRM2ADRA2A
SCHEMBL4177931 0.77 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3SIGMAR1TSHR
SCHEMBL4169205 0.71 SIGMAR1 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL30280520 0.71 CHRM2 (0.54) SLC6A2SLC6A4SLC6A3SMN1; SMN2LMNA
SCHEMBL4177463 0.66 CYP1A2 (0.43) SMN1; SMN2LMNAHTR2AKCNH2SIGMAR1
SCHEMBL22100705 0.64 CCR5 (0.52) SMN1; SMN2LMNAALDH1A1MAPTTRPM8
SCHEMBL2478228 0.63 LCK (0.48) SLC6A2SLC6A4SLC6A3SMN1; SMN2LMNA
SCHEMBL13543051 0.63 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL8629811 0.63 CCR5 (0.52) SMN1; SMN2LMNAALDH1A1MAPTNPSR1

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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 SLC6A2 367/4885SLC6A4 208/4885SLC6A3 173/4885

“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.