SCHEMBL5839244

SCHEMBL5839244

NC(=O)[C@@H](NC(=O)[C@@H]1CCCC[C@H]1c1ccc(CO)cc1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.47
KCNQ2 O43526 2/20 0.47
CHRNA7 P36544 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
NR3C2 P08235 1/20 0.38
PRCP P42785 5/20 0.38
KCNH2 Q12809 3/20 0.38
CNR2 P34972 2/20 0.38
F2 P00734 1/20 0.36
OPRM1 P35372 1/20 0.35
HTT P42858 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL5838001 0.89 KCNQ3 (0.44) KCNQ3KCNQ2CHRNA7SMN1; SMN2TAAR1
SCHEMBL5717882 0.88 KCNQ3 (0.43) KCNQ3KCNQ2CHRNA7SMN1; SMN2TAAR1
Bicarbonate SCHEMBL5718065 0.87 KCNQ3 (0.44) KCNQ3KCNQ2CHRNA7SMN1; SMN2TAAR1
SCHEMBL5718061 0.86 KCNQ3 (0.42) KCNQ3KCNQ2CHRNA7SMN1; SMN2TAAR1
SCHEMBL5838749 0.86 KCNQ3 (0.41) KCNQ3KCNQ2CHRNA7SMN1; SMN2TAAR1
SCHEMBL5718074 0.85 F2 (0.41) KCNQ3KCNQ2CHRNA7SMN1; SMN2NR3C2
SCHEMBL5838390 0.85 PRCP (0.42) KCNQ3KCNQ2TAAR1PRCPKCNH2
SCHEMBL5838279 0.85 PRCP (0.42) KCNQ3KCNQ2TAAR1PRCPKCNH2
SCHEMBL5718078 0.82 F2 (0.50) KCNQ3KCNQ2SMN1; SMN2F2
SCHEMBL5837962 0.80 KCNQ3 (0.37) KCNQ3KCNQ2CHRNA7TAAR1NR3C2

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 1282/4885CHRNA7 3454/4885
US-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use TNNI3, PAH, P4HA1 KCNQ3 1604/4885KCNQ2 1282/4885CHRNA7 3454/4885

“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.