SCHEMBL2732005

SCHEMBL2732005

CC(C)(C)OC(=O)N1CCN(CC2CCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
EPHX1 P07099 1/20 0.48
CNR1 P21554 1/20 0.47
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.45
RECQL P46063 1/20 0.44
NR1H2 P55055 1/20 0.44
MAPT P10636 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL1307642 0.97 EPHX1 (0.51) HPGDEPHX1CNR1USP2SMN1; SMN2
SCHEMBL1969568 0.95 EPHX1 (0.54) HPGDEPHX1CNR1USP2SMN1; SMN2
SCHEMBL1100404 0.94 CNR1 (0.51) HPGDEPHX1CNR1USP2SMN1; SMN2
SCHEMBL20873836 0.94 CNR1 (0.51) HPGDEPHX1CNR1USP2SMN1; SMN2
SCHEMBL20873854 0.92 HPGD (0.51) HPGDEPHX1CNR1USP2SMN1; SMN2
SCHEMBL5573169 0.90 HPGD (0.53) HPGDEPHX1CNR1USP2SMN1; SMN2
SCHEMBL25133786 0.88 NR1H2 (0.56) HPGDEPHX1CNR1USP2SMN1; SMN2
SCHEMBL29928185 0.88 NR1H2 (0.56) HPGDEPHX1CNR1USP2SMN1; SMN2
SCHEMBL24764173 0.88 CNR1 (0.47) HPGDEPHX1CNR1USP2SMN1; SMN2
SCHEMBL27432720 0.88 CACNA2D1 (0.48) HPGDEPHX1CNR1USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 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-20090247507-A1 Enzyme Inhibitors AURKC, AURKB, AURKA HPGD 3451/4885EPHX1 1464/4885CNR1 2992/4885

“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.