SCHEMBL482832

SCHEMBL482832

CC(C)(C)c1nc2ccc(N)cc2n1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 4/20 0.46
CNR2 P34972 2/20 0.41
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
CSNK1A1 P48729 1/20 0.36
GSK3A P49840 1/20 0.36
LIMK1 P53667 1/20 0.36
IKBKE Q14164 1/20 0.36
MAPK14 Q16539 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
BRD4 O60885 1/20 0.35
EPRS1 P07814 1/20 0.35
GRM1 Q13255 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CLK1 P49759 1/20 0.34

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
SCHEMBL482647 0.88 ALDH1A1 (0.41) ACSS2CNR2CHEK1AURKADAPK3
SCHEMBL28916789 0.82 CNR2 (0.41) ACSS2CNR2BRD4ALDH1A1HPGD
SCHEMBL29065543 0.78 CNR2 (0.62) CNR2MAPTALDH1A1MEN1NPC1
SCHEMBL2003462 0.73 BRPF1 (0.38) ACSS2CHEK1AURKADAPK3CSNK1A1
SCHEMBL7249675 0.71 NR1H2 (0.43) ACSS2CHEK1AURKADAPK3CSNK1A1
SCHEMBL30306286 0.70 CNR2 (0.57) ACSS2CNR2MAPTALDH1A1HPGD
SCHEMBL30306263 0.69 CNR2 (0.56) ACSS2CNR2BRD4CYP3A4MEN1
SCHEMBL28654998 0.69 CNR2 (0.56) ACSS2CNR2BRD4CYP3A4MEN1
SCHEMBL30306260 0.69 CNR2 (0.56) CNR2MAPTMEN1NPC1RAB9A
SCHEMBL30306310 0.69 CNR2 (0.56) ACSS2CNR2ALDH1A1HPGDMEN1

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 ACSS2 2961/4885CNR2 587/4885CHEK1 4832/4885

“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.