SCHEMBL10025908

SCHEMBL10025908

CC(C)n1cnc2c1C(c1cccc(Cl)c1Cl)N(C(=O)c1cc(Cl)c(Cl)cc1C(=O)O)CC2

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.36
GRIN2C Q14957 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34

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
SCHEMBL10025897 0.88 P2RX7 (0.35) P2RX7GRIN2CPOLBTSHRPTGDR2
SCHEMBL10025893 0.78 P2RX7 (0.38) P2RX7GRIN2CPOLBTSHRPTGDR2
SCHEMBL10025896 0.77 PTGDR2 (0.46) P2RX7POLBTSHRPTGDR2
SCHEMBL10025904 0.73 MAPK1 (0.47)
SCHEMBL10025906 0.72 OPRD1 (0.39) GRIN2CPOLBTSHRPTGDR2
SCHEMBL13809007 0.72 GRIN2C (0.43) P2RX7GRIN2CPOLBTSHR
SCHEMBL10025892 0.71 P2RX7 (0.39) P2RX7GRIN2C
SCHEMBL13809005 0.70 KIF11 (0.50) GRIN2CPOLBTSHR
SCHEMBL13809251 0.70 GRIN2C (0.49) GRIN2C
SCHEMBL10060744 0.69 HCRTR1 (0.38) POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124616-B2 Bicyclic PPAT inhibitors as antibacterial agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-02-28 US disclosed
US-8124616-B2 Bicyclic PPAT inhibitors as antibacterial agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-02-28 US disclosed
US-20090203730-A1 BICYCLIC PPAT INHIBITORS AS ANTIBACTERIAL AGENTS MAXTHERA INC. (US) 2009-08-13 US disclosed
US-20090203730-A1 BICYCLIC PPAT INHIBITORS AS ANTIBACTERIAL AGENTS MAXTHERA INC. (US) 2009-08-13 US disclosed
WO-2009073534-A2 BICYCLIC PPAT INHIBITORS AS ANTIBACTERIAL AGENTS MAXTHERA INC. (US) 2009-06-11 WO 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-20090203730-A1 BICYCLIC PPAT INHIBITORS AS ANTIBACTERIAL AGENTS APRT, PPA1, GNPAT P2RX7 1334/4885GRIN2C 3686/4885POLB 603/4885

“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.