SCHEMBL17687792

SCHEMBL17687792

CN1CC[C@H](Oc2cccc(-c3cncc(C=O)c3)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.41
▸ FFAR4 Q5NUL3 6/20 0.40
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ PIM1 P11309 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA6 Q15825 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
SCHEMBL17687832 0.88 FFAR4 (0.42) FFAR4
SCHEMBL19471844 0.88 FFAR4 (0.42) FFAR4
SCHEMBL19471860 0.88 FFAR4 (0.44) BTKFFAR4NOS3NOS1NOS2
SCHEMBL19471785 0.88 FFAR4 (0.44) BTKFFAR4NOS3NOS1NOS2
SCHEMBL17687988 0.88 FFAR4 (0.44) BTKFFAR4NOS3NOS1NOS2
SCHEMBL17687802 0.84 FFAR4 (0.47) BTKFFAR4SLC6A2SLC6A4KCNH2
SCHEMBL17687955 0.82 FFAR4 (0.45) BTKFFAR4SLC6A2SLC6A4KCNH2
SCHEMBL17687785 0.81 BTK (0.44) BTKFFAR4NOS3NOS1NOS2
SCHEMBL17687824 0.80 FFAR4 (0.38) FFAR4PIM1
SCHEMBL17687826 0.80 SLC6A2 (0.41) BTKFFAR4SLC6A2SLC6A4KCNH2

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 912/4885NOS3 716/4885

“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.

Send feedback