SCHEMBL4822648

SCHEMBL4822648

CC(Cc1ccccc1)c1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.41
MAOB P27338 3/20 0.41
NISCH Q9Y2I1 3/20 0.41
TAAR1 Q96RJ0 4/20 0.38
ADORA2A P29274 3/20 0.38
ADORA1 P30542 3/20 0.38
SLC6A2 P23975 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP2A6 P11509 1/20 0.38
ADORA3 P0DMS8 2/20 0.36
ADORA2B P29275 2/20 0.36
SLC18A2 Q05940 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 1/20 0.35
BRS3 P32247 1/20 0.35
TRPA1 O75762 1/20 0.35

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
SCHEMBL12011588 0.85 NPC1 (0.44) ALDH1A1
SCHEMBL27584275 0.81 ALDH1A1 (0.43) CYP2D6ALDH1A1
SCHEMBL1927628 0.81 ROCK2 (0.44) MAOATAAR1ADORA2AADORA1SLC6A2
SCHEMBL1927631 0.81 ROCK2 (0.44) MAOATAAR1ADORA2AADORA1SLC6A2
SCHEMBL1927633 0.81 ROCK2 (0.44) MAOATAAR1ADORA2AADORA1SLC6A2
SCHEMBL12011584 0.81 SMN1; SMN2 (0.44)
SCHEMBL1696579 0.80 ADORA1 (0.47) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL12011581 0.79 CYP11B2 (0.49)
Benzylamine SCHEMBL27584277 0.79 LOXL2 (0.41) MAOATAAR1ADORA2AADORA1SLC6A2
SCHEMBL1927511 0.78 POLB (0.43) SIGMAR1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402602-B2 Imidazole derivatives modulating the sodium channels SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) (FR) 2008-07-22 US disclosed
US-20060069146-A1 Imidazole derivatives modulating the sodium channels SCRAS 2006-03-30 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-20060069146-A1 Imidazole derivatives modulating the sodium channels SCN1B, SCN1A, SCN2B MAOA 510/4885MAOB 450/4885NISCH 239/4885

“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.