SCHEMBL483012

SCHEMBL483012

C[C@@H]1C[C@H](NC(=O)OCc2ccccc2)c2c(ccc3c2ncn3C(=O)OC(C)(C)C)N1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR2C P28335 1/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NTSR1 P30989 1/20 0.35
NAAA Q02083 1/20 0.35
CTSK P43235 1/20 0.35
KCNQ2 O43526 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
ABCB1 P08183 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
RORC P51449 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
SCHEMBL483164 0.88 MEN1 (0.38) CTSLMEN1KMT2AL3MBTL1HTR2C
SCHEMBL483038 0.82 RORC (0.35) CTSLMEN1KMT2AL3MBTL1HTR2C
SCHEMBL483016 0.79 NAAA (0.37) CTSLNAAACTSKKCNQ2ALDH1A1
SCHEMBL483014 0.79 NAAA (0.37) CTSLNAAACTSKKCNQ2ALDH1A1
SCHEMBL482605 0.74 NAAA (0.41) L3MBTL1NAAAKCNQ2JAK2JAK1
SCHEMBL483165 0.73 NAAA (0.37) NAAACTSKKCNQ2JAK2JAK1
SCHEMBL483166 0.73 NAAA (0.37) NAAACTSKKCNQ2JAK2JAK1
SCHEMBL482931 0.72 PREP (0.36) MEN1KMT2AHTR2CJAK2JAK1
SCHEMBL17758594 0.72 NAAA (0.59) CTSLNAAACTSKALDH1A1
SCHEMBL6279081 0.71 KCNQ2 (0.48) NAAAKCNQ2ALDH1A1

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 CTSL 3586/4885MEN1 4289/4885KMT2A 2178/4885

“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.