SCHEMBL30864397

SCHEMBL30864397

CC(C)(C)OC(=O)N1CC2CN(C(=O)c3cccc(Nc4ccccc4)n3)CC2C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.43
KCNK9 Q9NPC2 3/20 0.43
GPR119 Q8TDV5 2/20 0.43
USP30 Q70CQ3 4/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41
JAK2 O60674 4/20 0.41
JAK1 P23458 3/20 0.41
PDE10A Q9Y233 2/20 0.40
JAK3 P52333 1/20 0.40
NAMPT P43490 1/20 0.40
RORC P51449 1/20 0.39

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
SCHEMBL25883037 1.00 KCNK3 (0.43) KCNK3KCNK9GPR119USP30OPRM1
SCHEMBL30471206 0.88 JAK2 (0.48) GPR119JAK2JAK3NAMPT
SCHEMBL25878262 0.88 MEN1 (0.49) KCNK3KCNK9PDE10A
SCHEMBL29466326 0.88 MEN1 (0.49) KCNK3KCNK9PDE10A
SCHEMBL29466330 0.84 GPR119 (0.42) KCNK3KCNK9GPR119USP30JAK2
SCHEMBL27180231 0.84 MEN1 (0.45) KCNK3KCNK9PDE10A
SCHEMBL29466310 0.83 ANO1 (0.44) GPR119USP30JAK2JAK1JAK3
SCHEMBL29466304 0.83 CCNA2 (0.44) GPR119USP30OPRM1OPRK1OGFRL1
SCHEMBL25882471 0.83 CCNA2 (0.44) GPR119USP30OPRM1OPRK1OGFRL1
SCHEMBL29484593 0.80 CHRNA4 (0.57)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101552-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2024-03-28 US 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-20240101552-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF LANCL2, CBS, LCP2 KCNK3 2933/4885KCNK9 3318/4885GPR119 485/4885

“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.