SCHEMBL17687963

SCHEMBL17687963

CC(C)(C)OC(=O)N1CC[C@@H](COc2cccc(-c3cccc(C4OCCO4)c3)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.43
▸ FEN1 P39748 2/20 0.43
▸ PFKFB3 Q16875 1/20 0.41
▸ FFAR4 Q5NUL3 3/20 0.40
▸ GPR119 Q8TDV5 5/20 0.40
▸ CHEK2 O96017 1/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ USP30 Q70CQ3 3/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ ABL2 P42684 1/20 0.39
▸ HPGDS O60760 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
SCHEMBL17687964 1.00 ALOX5AP (0.43) ALOX5APFEN1PFKFB3FFAR4GPR119
SCHEMBL19471786 1.00 ALOX5AP (0.43) ALOX5APFEN1PFKFB3FFAR4GPR119
SCHEMBL19471630 0.93 ALOX5AP (0.39) ALOX5APFEN1PFKFB3FFAR4GPR119
SCHEMBL17687875 0.88 EPHA2 (0.46) PFKFB3GPR119USP30
SCHEMBL17687850 0.88 FFAR4 (0.45) FFAR4
SCHEMBL17687943 0.85 PIK3CD (0.44) GPR119
SCHEMBL17687945 0.85 PIK3CD (0.44) GPR119
SCHEMBL17687878 0.85 PIK3CD (0.44) GPR119
SCHEMBL19471624 0.85 F2RL3 (0.37) ALOX5APFEN1FFAR4GPR119USP30
SCHEMBL19471625 0.85 F2RL3 (0.37) ALOX5APFEN1FFAR4GPR119USP30

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
EP-3207042-B1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION IDORSIA PHARMACEUTICALS LTD (CH) 2018-10-03 — — EP disclosed
US-9850256-B2 Antibacterial basic biaromatic derivatives with aminoalkoxy substitution IDORSIA PHARMACEUTICALS LTD (CH) 2017-12-26 — — US disclosed
US-20170305927-A1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 — — US disclosed
EP-3207042-A1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION Idorsia Pharmaceuticals Ltd (CH) 2017-08-23 — — EP disclosed
WO-2016059097-A1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION ACTELION PHARMACEUTICALS LTD (CH) 2016-04-21 — — 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-20170305927-A1 ANTIBACTERIAL BASIC BIAROMATIC DERIVATIVES WITH AMINOALKOXY SUBSTITUTION RPSA, RPL4, RPS4Y1 ALOX5AP 2024/4885FEN1 3126/4885PFKFB3 1476/4885

“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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