SCHEMBL17687828

SCHEMBL17687828

CCN1CCC(Oc2cccc(-c3cccc(C=O)c3)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.43
▸ FFAR4 Q5NUL3 9/20 0.42
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD5 P21918 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC8 Q9BY41 3/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAD52 P43351 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
SCHEMBL17687988 0.87 FFAR4 (0.44) ADORA2AFFAR4SLC6A2SLC6A4KCNH2
SCHEMBL19471785 0.87 FFAR4 (0.44) ADORA2AFFAR4SLC6A2SLC6A4KCNH2
SCHEMBL19471860 0.87 FFAR4 (0.44) ADORA2AFFAR4SLC6A2SLC6A4KCNH2
SCHEMBL17687955 0.86 FFAR4 (0.45) ADORA2AFFAR4SLC6A2SLC6A4KCNH2
SCHEMBL17687849 0.83 ADORA2A (0.42) ADORA2AFFAR4SLC6A2SLC6A4KCNH2
SCHEMBL17687802 0.83 FFAR4 (0.47) ADORA2AFFAR4SLC6A2SLC6A4KCNH2
SCHEMBL17687826 0.81 SLC6A2 (0.41) FFAR4SLC6A2SLC6A4KCNH2DRD2
SCHEMBL17688011 0.80 ADORA2A (0.40) ADORA2AFFAR4SLC6A2SLC6A4KCNH2
SCHEMBL17687877 0.79 BTK (0.47) FFAR4BTK
SCHEMBL17687939 0.79 BTK (0.47) FFAR4BTK

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 ADORA2A 763/4885FFAR4 912/4885SLC6A2 4245/4885

“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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