SCHEMBL141076

SCHEMBL141076

C#CC[C@@]1(Cc2ccccc2)C[C@@H](OCc2ccc(OC)cc2)CN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.42
NAAA Q02083 2/20 0.40
S1PR5 Q9H228 1/20 0.38
ADAM17 P78536 2/20 0.37
HCRTR2 O43614 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 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
SCHEMBL145242 0.88 GRIN2B (0.45) GRIN2BNAAAS1PR5ADAM17HCRTR2
SCHEMBL145119 0.86 GRIN2B (0.43) GRIN2BNAAAADAM17
SCHEMBL142211 0.85 GRIN2B (0.43) GRIN2BNAAAS1PR5ADAM17
SCHEMBL3400543 0.85 GRIN2B (0.43) GRIN2BNAAAS1PR5ADAM17
SCHEMBL144742 0.79 GRIN2B (0.42) GRIN2BNAAAADAM17KDM4EALDH1A1
SCHEMBL3402984 0.78 GRIN2B (0.42) GRIN2BNAAAADAM17KDM4EALDH1A1
SCHEMBL143089 0.78 GRIN2B (0.42) GRIN2BNAAAADAM17KDM4EALDH1A1
SCHEMBL16402974 0.71 GRIN2B (0.36) GRIN2BKDM4EALDH1A1
SCHEMBL6319951 0.71 GRIN2B (0.39) GRIN2BALDH1A1
SCHEMBL17542316 0.70 GRIN2B (0.47) GRIN2BALDH1A1

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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 GRIN2B 2496/4885NAAA 679/4885S1PR5 4243/4885

“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.