SCHEMBL17687801

SCHEMBL17687801

CN1CC(Oc2cccc(-c3cc(C=O)ccn3)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.39
▸ FFAR4 Q5NUL3 9/20 0.36
▸ GSK3B P49841 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ WNT1 P04628 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32

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
SCHEMBL17687785 0.93 BTK (0.44) BTKFFAR4NOS3NOS1NOS2
SCHEMBL17688084 0.85 FFAR4 (0.36) FFAR4GSK3BDYRK1AWNT1PIM1
SCHEMBL17687826 0.83 SLC6A2 (0.41) BTKFFAR4PIM1PIM3PIM2
SCHEMBL19471476 0.81 FFAR4 (0.39) BTKFFAR4GSK3BDYRK1AWNT1
SCHEMBL17687932 0.80 BTK (0.40) BTKFFAR4NOS3NOS1NOS2
SCHEMBL19471678 0.79 FFAR4 (0.39) FFAR4PIM1PIM3PIM2
SCHEMBL17687807 0.79 FFAR4 (0.39) FFAR4PIM1PIM3PIM2
SCHEMBL16180665 0.79 BTK (0.48) BTK
SCHEMBL19471546 0.78 TLR9 (0.34) BTKGSK3BDYRK1AWNT1PIM1
SCHEMBL19471785 0.78 FFAR4 (0.44) BTKFFAR4NOS3NOS1NOS2

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 BTK 3339/4885FFAR4 912/4885GSK3B 4291/4885

“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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