SCHEMBL4454824

SCHEMBL4454824

CC1OC(=O)N(C)C1(C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.40
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
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP3 P08254 1/20 0.36
PKM P14618 1/20 0.35
MAOA P21397 1/20 0.35
BRD4 O60885 1/20 0.35
HSD11B1 P28845 2/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL4447348 0.82 GRM2 (0.42) GRM2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4459771 0.80 GRM2 (0.40) GRM2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4453549 0.79 SMN1; SMN2 (0.39) GRM2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4474715 0.79 GRM2 (0.36) GRM2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4460629 0.76 GRM2 (0.40) GRM2MMP2MMP9MMP3CES2
SCHEMBL4445297 0.76 GRM2 (0.38) GRM2SLC6A2MMP2MMP9MMP3
SCHEMBL4472190 0.76 GRM2 (0.37) GRM2MMP2MMP9MMP3
SCHEMBL15270625 0.72 TNKS (0.53) HSD11B1
SCHEMBL15270624 0.72 TNKS (0.53) HSD11B1
SCHEMBL4458256 0.69 IDH1 (0.39) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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 GRM2 4432/4885CHRNA1 2175/4885CHRNG 2594/4885

“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.