SCHEMBL13520202

SCHEMBL13520202

CCCN1CCC(OC(=O)CNC(=O)[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 9/20 0.37
▸ EPHX2 P34913 2/20 0.32
▸ CARM1 Q86X55 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ SLC5A7 Q9GZV3 1/20 0.32
▸ EPHX1 P07099 1/20 0.31
▸ LTA4H P09960 1/20 0.31

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
SCHEMBL13519614 0.88 CHRM4 (0.34) CARM1PRMT6
SCHEMBL13520216 0.83 LTA4H (0.37) LTA4H
SCHEMBL13519666 0.72 LTA4H (0.34) LTA4H
SCHEMBL13520228 0.70 CHRM3 (0.43) CHRM3EPHX2CARM1PRMT6EPHX1
SCHEMBL13520215 0.69 HRH3 (0.42) —
SCHEMBL20873262 0.69 HRH3 (0.42) —
SCHEMBL13520214 0.68 CHRM3 (0.45) CHRM3CARM1PRMT6
SCHEMBL14189087 0.67 ADORA2A (0.41) —
SCHEMBL3950532 0.66 CHRM3 (0.51) CHRM3CARM1PRMT6
SCHEMBL13520207 0.66 CHRM3 (0.46) CHRM3CARM1PRMT6

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-7642245-B2 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2010-01-05 — — US disclosed
US-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2007-06-21 — — 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-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif AADAC, MRPL21, HDAC6 CHRM3 4602/4885EPHX2 4638/4885CARM1 2057/4885

“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.

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