SCHEMBL17687822

SCHEMBL17687822

CN1CC[C@H](Oc2cnnc(-c3cccc(C4OCCO4)c3)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 3/20 0.38
▸ ADORA2A P29274 4/20 0.37
▸ TGFBR1 P36897 1/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ HIPK1 Q86Z02 1/20 0.33
▸ HIPK2 Q9H2X6 1/20 0.33
▸ HIPK3 Q9H422 1/20 0.33
▸ CLK4 Q9HAZ1 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
SCHEMBL17688021 1.00 SOS1 (0.38) SOS1ADORA2ATGFBR1ACVR1NOS3
SCHEMBL19471375 1.00 SOS1 (0.38) SOS1ADORA2ATGFBR1ACVR1NOS3
SCHEMBL17688026 0.93 SOS1 (0.33) SOS1
SCHEMBL19471604 0.83 USP30 (0.44) —
SCHEMBL17687891 0.83 USP30 (0.44) —
SCHEMBL17687887 0.83 USP30 (0.44) —
SCHEMBL19463374 0.83 FPR2 (0.31) SOS1
SCHEMBL17687842 0.80 SLC6A2 (0.40) ADORA2ANOS3NOS1NOS2CLK1
SCHEMBL19471588 0.80 SLC6A2 (0.40) ADORA2ANOS3NOS1NOS2CLK1
SCHEMBL17687979 0.80 SLC6A2 (0.40) ADORA2ANOS3NOS1NOS2CLK1

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 SOS1 4262/4885ADORA2A 763/4885TGFBR1 2903/4885

“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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