SCHEMBL13677451

SCHEMBL13677451

COC(=O)C1=C[C@@H](OC(C)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
CHRM3 P20309 2/20 0.34
LMNA P02545 3/20 0.33
CHRM1 P11229 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
HSD17B10 Q99714 1/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
NFKB1 P19838 1/20 0.32
XDH P47989 1/20 0.32
GFER P55789 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
FUT7 Q11130 1/20 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
SCHEMBL23273202 0.82 OAT (0.42) CYP19A1LMNACHRM1POLBCYP3A4
SCHEMBL399295 0.81 CYP19A1 (0.37) CYP19A1LMNACHRM1POLBCA12
SCHEMBL13677475 0.76 CYP19A1 (0.40) CYP19A1CHRM3LMNACHRM1CHRM2
SCHEMBL4266335 0.76 CYP19A1 (0.40) CYP19A1CHRM3LMNACHRM1CHRM2
SCHEMBL2585385 0.76 CYP19A1 (0.40) CYP19A1CHRM3LMNACHRM1CHRM2
SCHEMBL6538254 0.74 CHRM3 (0.38) CHRM3LMNACHRM1CHRM2CHRM4
SCHEMBL4593737 0.74 CHRM3 (0.38) CHRM3LMNACHRM1CHRM2CHRM4
SCHEMBL13677468 0.74 CHRM3 (0.38) CHRM3LMNACHRM1CHRM2CHRM4
SCHEMBL31294258 0.73 RAB9A (0.34) CYP19A1LMNAHSD17B10GAAADORA3
SCHEMBL19944587 0.73 CHRM3 (0.37) CHRM3LMNACHRM1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247770-A1 PROCESS FOR MAKING LACTAM TACHYKININ RECEPTOR ANTAGONISTS MSD K.K. (JP) 2009-10-01 US disclosed
US-20090247770-A1 PROCESS FOR MAKING LACTAM TACHYKININ RECEPTOR ANTAGONISTS MSD K.K. (JP) 2009-10-01 US disclosed
WO-2008021029-A2 PROCESS FOR MAKING LACTAM TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-02-21 WO 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-20090247770-A1 PROCESS FOR MAKING LACTAM TACHYKININ RECEPTOR ANTAGONISTS TACR1, TACR2, NPSR1 CYP19A1 798/4885CHRM3 1820/4885LMNA 2467/4885

“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.