SCHEMBL5038633

SCHEMBL5038633

C[C@@H]1c2ccccc2N(Cc2c[nH]cn2)[C@@H]1C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31
GPR3 P46089 1/20 0.30
AADAT Q8N5Z0 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
SCHEMBL4257032 1.00 GAA (0.36) GAAMAPK1DRD2DRD4GPR3
SCHEMBL3524892 0.74 KMT2A (0.47) GAAMAPK1
SCHEMBL3524506 0.74 ROCK1 (0.39) DRD2DRD4
SCHEMBL3524505 0.74 ROCK1 (0.39) DRD2DRD4
SCHEMBL3524895 0.74 KMT2A (0.47) GAAMAPK1
SCHEMBL3524896 0.74 KMT2A (0.47) GAAMAPK1
SCHEMBL3524502 0.74 ROCK1 (0.39) DRD2DRD4
SCHEMBL3526076 0.73 CHRM2 (0.46) GAADRD2DRD4
SCHEMBL3526071 0.73 CHRM2 (0.46) GAADRD2DRD4
SCHEMBL3526073 0.73 CHRM2 (0.46) GAADRD2DRD4

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-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US claimed

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-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES TAAR1, TAAR5, TACR1 GAA 4000/4885MAPK1 951/4885DRD2 297/4885

“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.