SCHEMBL4458256

SCHEMBL4458256

CN1C(=O)OCC1(C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 5/20 0.39
PARL Q9H300 2/20 0.39
BRD4 O60885 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
SLC6A2 P23975 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRND Q07001 1/20 0.38
HSD11B1 P28845 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MTOR P42345 1/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL6902727 0.90 IDH1 (0.44) IDH1HSD11B1ALDH1A1
SCHEMBL4452501 0.77 FAAH (0.35) BRD4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL22771268 0.73 HCAR2 (0.40) IDH1RAB9AALDH1A1TSHRSMN1; SMN2
SCHEMBL4575028 0.71 ALDH1A1 (0.41) IDH1HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL8475478 0.71 IDH1 (0.51) IDH1HSD11B1ALDH1A1MTOR
SCHEMBL8475475 0.71 IDH1 (0.51) IDH1HSD11B1ALDH1A1MTOR
SCHEMBL10308853 0.71 IDH1 (0.48) IDH1HSD11B1SMN1; SMN2
SCHEMBL4454824 0.69 GRM2 (0.40) BRD4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4480093 0.68 ELANE (0.38) HSD11B1NPC1RAB9AALDH1A1MMP2
SCHEMBL4450103 0.68 GAA (0.40) HSD11B1NPC1RAB9AALDH1A1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 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-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 IDH1 376/4885PARL 3604/4885BRD4 2170/4885

“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.