SCHEMBL4453549

SCHEMBL4453549

CC(=O)C1(c2ccc(-c3ccccc3)cc2)C(C)OC(=O)N1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
GRM2 Q14416 1/20 0.36
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
BRD4 O60885 1/20 0.33
TSHR P16473 1/20 0.33
NAAA Q02083 2/20 0.33
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32

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
SCHEMBL4459771 0.74 GRM2 (0.40) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL4458256 0.61 IDH1 (0.39) SMN1; SMN2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4450103 0.60 GAA (0.40) GRM2MMP2MMP9MMP1ADAM17
Biphenyl SCHEMBL538359 0.59 SMN1; SMN2 (0.67) SMN1; SMN2MAPTTSHRMMP3ALDH1A1
Biphenyl SCHEMBL29059196 0.59 SMN1; SMN2 (0.67) SMN1; SMN2MAPTTSHRMMP3ALDH1A1
Biphenyl SCHEMBL1822628 0.59 SMN1; SMN2 (0.67) SMN1; SMN2MAPTTSHRMMP3ALDH1A1
Biphenyl SCHEMBL15332958 0.59 SMN1; SMN2 (0.67) SMN1; SMN2MAPTTSHRMMP3ALDH1A1
SCHEMBL7738989 0.59 MAPT (1.00) SMN1; SMN2MAPTUSP2ALDH1A1HPGD
SCHEMBL7252924 0.59 MAPT (1.00) SMN1; SMN2MAPTUSP2ALDH1A1HPGD
SCHEMBL51207 0.59 MAPT (1.00) SMN1; SMN2MAPTUSP2ALDH1A1HPGD

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 SMN1; SMN2 902/4885MAPT 3483/4885CHRNA1 2175/4885

“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.