SCHEMBL483166

SCHEMBL483166

C[C@H]1C[C@@H](NC(=O)OCc2ccccc2)c2c(ccc3nc(C(C)(C)C)n(C(=O)O)c23)N1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.37
KCNQ2 O43526 1/20 0.35
CPB1 P15086 1/20 0.35
PREP P48147 2/20 0.35
ENPP2 Q13822 1/20 0.34
ATXN2 Q99700 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
CTSK P43235 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 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
SCHEMBL483165 1.00 NAAA (0.37) NAAAKCNQ2CPB1PREPENPP2
SCHEMBL483016 0.87 NAAA (0.37) NAAAKCNQ2CPB1PREPADORA2A
SCHEMBL483014 0.87 NAAA (0.37) NAAAKCNQ2CPB1PREPADORA2A
SCHEMBL482932 0.82 BRD4 (0.36) NAAACPB1PREP
SCHEMBL483164 0.79 MEN1 (0.38) NAAAKCNQ2PREPALDH1A1JAK2
SCHEMBL482605 0.76 NAAA (0.41) NAAAKCNQ2CPB1ALDH1A1GAA
SCHEMBL483012 0.73 CTSL (0.37) NAAAKCNQ2ALDH1A1JAK2JAK1
SCHEMBL6279081 0.72 KCNQ2 (0.48) NAAAKCNQ2CPB1ALDH1A1GAA
SCHEMBL4118291 0.72 KCNQ2 (0.48) NAAAKCNQ2CPB1ALDH1A1GAA
SCHEMBL5504422 0.72 KCNQ2 (0.48) NAAAKCNQ2CPB1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604030-B2 Fused piperidine compound and pharmaceutical containing same KOWA COMPANY, LTD. (JP) 2013-12-10 US disclosed
US-20120108581-A1 FUSED PIPERIDINE COMPOUND AND PHARMACEUTICAL CONTAINING SAME KOWA COMPANY, LTD (JP) 2012-05-03 US disclosed
EP-2412710-A1 FUSED PIPERIDINE COMPOUND AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2012-02-01 EP 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-20120108581-A1 FUSED PIPERIDINE COMPOUND AND PHARMACEUTICAL CONTAINING SAME EPOR, JAK2, HBZ NAAA 4450/4885KCNQ2 1972/4885CPB1 3218/4885

“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.