SCHEMBL17687900

SCHEMBL17687900

COc1cc(O[C@H]2CCN(C)C2)nc(-c2cccc(C=O)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.36
▸ CACNA2D1 P54289 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD5 P21918 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 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
SCHEMBL19471458 1.00 ADORA2A (0.40) ADORA2AALDH1A1HTTCACNA2D1FFAR4
SCHEMBL19471602 0.92 ADORA2A (0.42) ADORA2AALDH1A1DRD2DRD1DRD4
SCHEMBL17687848 0.92 ADORA2A (0.42) ADORA2AALDH1A1DRD2DRD1DRD4
SCHEMBL19471785 0.86 FFAR4 (0.44) ADORA2AFFAR4DRD2DRD1DRD4
SCHEMBL17687988 0.86 FFAR4 (0.44) ADORA2AFFAR4DRD2DRD1DRD4
SCHEMBL19471860 0.86 FFAR4 (0.44) ADORA2AFFAR4DRD2DRD1DRD4
SCHEMBL17687802 0.82 FFAR4 (0.47) ADORA2AFFAR4DRD2DRD1DRD4
SCHEMBL17687955 0.81 FFAR4 (0.45) ADORA2ACACNA2D1FFAR4DRD2DRD1
SCHEMBL17687890 0.79 ADORA2A (0.40) ADORA2ADRD2DRD1DRD4DRD5
SCHEMBL19471478 0.79 ADORA2A (0.40) ADORA2ADRD2DRD1DRD4DRD5

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 763/4885ALDH1A1 501/4885HTT 4605/4885

“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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