SCHEMBL10060744

SCHEMBL10060744

CC(C)N1C=NC2CCN(C(=O)c3cc(Cl)c(Cl)cc3C(=O)O)C(c3cccc(Cl)c3Cl)C21

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.38
HCRTR2 O43614 17/20 0.38
POLB P06746 1/20 0.35
TSHR P16473 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
SCHEMBL10025908 0.69 P2RX7 (0.36) POLBTSHR
SCHEMBL10025897 0.64 P2RX7 (0.35) POLBTSHR
SCHEMBL10025896 0.64 PTGDR2 (0.46) POLBTSHR
SCHEMBL10025904 0.64 MAPK1 (0.47)
SCHEMBL10025893 0.63 P2RX7 (0.38) POLBTSHR
SCHEMBL13809007 0.62 GRIN2C (0.43) POLBTSHR
SCHEMBL10025906 0.62 OPRD1 (0.39) HCRTR1HCRTR2POLBTSHR
SCHEMBL13809005 0.61 KIF11 (0.50) POLBTSHR
SCHEMBL13822084 0.60 DRD1 (0.47)
SCHEMBL13822113 0.59 OPRD1 (0.38) HCRTR1HCRTR2POLBTSHR

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-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

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 HCRTR1 3981/4885HCRTR2 4710/4885POLB 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.