SCHEMBL6876158

SCHEMBL6876158

OCCC#Cc1ccc(-c2ncccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.46
ADRB2 P07550 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
CLK4 Q9HAZ1 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38

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
SCHEMBL6875742 0.90 GABRP (0.41) ASIC3ADRB2HRH3CLK4GABRP
SCHEMBL6227667 0.86 ALDH1A1 (0.46) ADRB2HRH3CLK4GABRPGABRD
SCHEMBL6852057 0.83 ADRB2 (0.42) ASIC3ADRB2CLK4AOC3VCP
SCHEMBL10454979 0.81 GABRP (0.45) ASIC3HRH3GABRPGABRDGABRA1
SCHEMBL9672085 0.79 HRH3 (0.49) ASIC3HRH3GABRPGABRDGABRA1
SCHEMBL6848088 0.79 ADRB2 (0.44) ADRB2CLK4AOC3VCP
SCHEMBL2161747 0.78 CYP1A2 (0.50) ASIC3HRH3GABRPGABRDGABRA1
SCHEMBL6881941 0.75 ADRB2 (0.44) ADRB2CLK4AOC3VCP
SCHEMBL10323757 0.74 MMP3 (0.47) ASIC3HRH3GABRPGABRDGABRA1
SCHEMBL6980856 0.74 MAPK14 (0.43) ASIC3HRH3GABRPGABRDGABRA1

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 ASIC3 2017/4885ADRB2 4390/4885HRH3 4185/4885

“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.