SCHEMBL4329563

SCHEMBL4329563

C=CC1(c2ccccc2)COC(=O)N1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
ELANE P08246 3/20 0.35
CTSG P08311 2/20 0.35
PRTN3 P24158 1/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AMPD2 Q01433 1/20 0.35
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
CMA1 P23946 1/20 0.34
CTRC Q99895 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
OPRL1 P41146 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
SCHEMBL17446141 0.75 GSK3A (0.45) CHRM2CHRM3ELANECTSGPRTN3
SCHEMBL4309714 0.73 ELANE (0.42) CHRM2CHRM3ELANECTSGPRTN3
SCHEMBL4309775 0.70 SMN1; SMN2 (0.37) ELANECTSGPRTN3GAAAMPD2
SCHEMBL8475159 0.67 TSHR (0.36) GSK3AGSK3BGAALMNAOPRL1
SCHEMBL28595876 0.65 AKR1B1 (0.43) CTSGLMNACMA1KMT2APKM
SCHEMBL4322743 0.63 CYP2C9 (0.38) ELANECTSGPRTN3GAALMNA
SCHEMBL4319672 0.63 OPRM1 (0.37) ELANECTSGPRTN3AMPD2TP53
SCHEMBL10994478 0.62 GAA (0.47) ELANECTSGPRTN3GSK3AGSK3B
SCHEMBL16399962 0.61 AMPD2 (0.40) ELANECTSGPRTN3GAALMNA
SCHEMBL4575028 0.61 ALDH1A1 (0.41) CHRM2CHRM3GAALMNASIGMAR1

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 CHRM2 1118/4885CHRM3 933/4885ELANE 1155/4885

“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.