SCHEMBL6880980

SCHEMBL6880980

CN(N)CCc1ccc(-c2cnccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 7/20 0.47
CYP2D6 P10635 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
BRS3 P32247 1/20 0.46
POLB P06746 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
PORCN Q9H237 1/20 0.39
CHRNA7 P36544 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 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
SCHEMBL6880986 1.00 AOC3 (0.47) AOC3CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL30639581 0.79 CYP2C19 (0.49) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL31140242 0.79 CYP2D6 (0.61) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL27032937 0.79 CYP2C19 (0.49) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL13625688 0.78 BRS3 (0.51) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL6880983 0.76 CYP2D6 (0.47) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL6852314 0.76 CYP2D6 (0.49) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL6854228 0.76 CYP2D6 (0.49) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL7708187 0.75 CYP2D6 (0.60) CYP2D6CYP19A1CYP2C9CYP2C19BRS3
SCHEMBL21222736 0.75 CYP2A6 (0.55) CYP2D6CYP19A1CYP2C9CYP2C19BRS3

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-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 AOC3 1365/4885CYP2D6 125/4885CYP19A1 1360/4885

“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.