SCHEMBL5838749

SCHEMBL5838749

CC(=O)OCc1ccc([C@@H]2CCCC[C@H]2C(=O)N[C@H](C(N)=O)c2ccc(F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.41
KCNQ2 O43526 2/20 0.41
F2 P00734 1/20 0.38
CHRNA7 P36544 1/20 0.37
CNR2 P34972 2/20 0.36
PRCP P42785 4/20 0.36
KCNH2 Q12809 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
NR3C2 P08235 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL5839244 0.86 KCNQ3 (0.47) KCNQ3KCNQ2F2CHRNA7CNR2
SCHEMBL5718074 0.86 F2 (0.41) KCNQ3KCNQ2F2CHRNA7CNR2
SCHEMBL5717956 0.85 PRCP (0.36) KCNQ3KCNQ2F2CHRNA7CNR2
Bicarbonate SCHEMBL5718065 0.84 KCNQ3 (0.44) KCNQ3KCNQ2F2CHRNA7CNR2
SCHEMBL5838001 0.83 KCNQ3 (0.44) KCNQ3KCNQ2F2CHRNA7CNR2
SCHEMBL5717954 0.83 KCNQ3 (0.35) KCNQ3KCNQ2CHRNA7PRCPKCNH2
SCHEMBL5717882 0.83 KCNQ3 (0.43) KCNQ3KCNQ2F2CHRNA7CNR2
SCHEMBL5718061 0.81 KCNQ3 (0.42) KCNQ3KCNQ2CHRNA7PRCPKCNH2
SCHEMBL5838279 0.80 PRCP (0.42) KCNQ3KCNQ2PRCPKCNH2TAAR1
SCHEMBL5838390 0.80 PRCP (0.42) KCNQ3KCNQ2PRCPKCNH2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074780-B2 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2006-07-11 US disclosed
US-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2004-06-24 US disclosed
US-6649616-B2 For therapy and prophylaxis of cardiovascular disorders caused by ischaemia BAYER AKTIENGESELLSCHAFT (DE) 2003-11-18 US disclosed
US-20030008881-A1 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2003-01-09 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 (2 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-20030008881-A1 Substituted phenylcyclohexanecarboxamides and their use TNNI3, PAH, P4HA1 KCNQ3 1604/4885KCNQ2 1282/4885F2 995/4885
US-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use TNNI3, PAH, P4HA1 KCNQ3 1604/4885KCNQ2 1282/4885F2 995/4885

“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.