SCHEMBL17687811

SCHEMBL17687811

O=Cc1cccc(-c2cc(OC3CCN(C(=O)O)C3)cnn2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD5 Q86SK9 1/20 0.39
▸ SCD O00767 1/20 0.36
▸ CYP11B1 P15538 2/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ SPR P35270 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ KCNH2 Q12809 3/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ TRIM24 O15164 1/20 0.34
▸ TRIM33 Q9UPN9 1/20 0.34
▸ HMOX1 P09601 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ MCHR1 Q99705 2/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33

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
SCHEMBL17687978 1.00 SCD5 (0.39) SCD5SCDCYP11B1CYP11B2SPR
SCHEMBL17687808 1.00 SCD5 (0.39) SCD5SCDCYP11B1CYP11B2SPR
SCHEMBL17687865 0.87 USP30 (0.45) —
SCHEMBL17687866 0.87 USP30 (0.45) —
SCHEMBL17687890 0.86 ADORA2A (0.40) —
SCHEMBL19471478 0.86 ADORA2A (0.40) —
SCHEMBL17687913 0.86 ADORA2A (0.40) —
SCHEMBL17687957 0.83 EPHX2 (0.47) SCD5SCDCYP11B1CYP11B2EPHX2
SCHEMBL17687959 0.83 EPHX2 (0.47) SCD5SCDCYP11B1CYP11B2EPHX2
SCHEMBL17687871 0.81 USP30 (0.40) SCD

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 SCD5 2852/4885SCD 3394/4885CYP11B1 1311/4885

“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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