SCHEMBL482647

SCHEMBL482647

CC(C)(C)c1nc2cc(N)ccc2n1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CNR2 P34972 3/20 0.41
KDM4E B2RXH2 6/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
CSNK1A1 P48729 1/20 0.39
GSK3A P49840 1/20 0.39
LIMK1 P53667 1/20 0.39
IKBKE Q14164 1/20 0.39
MAPK14 Q16539 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
RAD52 P43351 1/20 0.39
HTT P42858 1/20 0.39
ACSS2 Q9NR19 1/20 0.38
CLK1 P49759 1/20 0.37
MAPT P10636 2/20 0.35
GFER P55789 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
SCHEMBL482832 0.88 ACSS2 (0.46) ALDH1A1CNR2CHEK1AURKADAPK3
SCHEMBL335868 0.80 NPC1 (0.47) ALDH1A1KDM4ECHEK1AURKADAPK3
SCHEMBL29065543 0.78 CNR2 (0.62) ALDH1A1CNR2KDM4EMAPTNPC1
SCHEMBL28916789 0.73 CNR2 (0.41) ALDH1A1CNR2KDM4EACSS2BRD4
SCHEMBL28693493 0.71 NR1H2 (0.41) ALDH1A1KDM4ECHEK1AURKADAPK3
SCHEMBL3637823 0.71 ALOX5AP (0.43) ALDH1A1KDM4ECHEK1AURKADAPK3
SCHEMBL2003462 0.70 BRPF1 (0.38) ALDH1A1KDM4ECHEK1AURKADAPK3
SCHEMBL30306271 0.70 CNR2 (0.57) ALDH1A1CNR2KDM4EHTTACSS2
SCHEMBL30306305 0.69 CNR2 (0.56) ALDH1A1CNR2KDM4EACSS2TDP1
SCHEMBL28681187 0.69 GABRG2 (0.41) ALDH1A1KDM4ECHEK1AURKADAPK3

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 ALDH1A1 360/4885CNR2 587/4885KDM4E 1441/4885

“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.