SCHEMBL5838152

SCHEMBL5838152

CN(C)C(=O)N(Cc1ccc([C@@H]2CCCC[C@H]2C(=O)N[C@H](C(N)=O)c2ccccc2)cc1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 4/20 0.48
KCNQ2 O43526 4/20 0.48
F2 P00734 1/20 0.42
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
MTTP P55157 1/20 0.35
SCN9A Q15858 1/20 0.35
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
LMNA P02545 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
CCR5 P51681 1/20 0.33
AGER Q15109 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
SCHEMBL5717968 0.88 KCNQ3 (0.48) KCNQ3KCNQ2F2SLC6A2SLC6A4
SCHEMBL5718093 0.84 KCNQ3 (0.53) KCNQ3KCNQ2F2SLC6A2SLC6A4
SCHEMBL5718063 0.84 UBE2M (0.43) F2KMT2AMEN1UBE2MDCUN1D1
SCHEMBL6801993 0.79 KCNQ3 (0.54) KCNQ3KCNQ2F2SLC6A2SLC6A4
SCHEMBL5717993 0.78 KCNQ3 (0.46) KCNQ3KCNQ2F2KMT2AMEN1
SCHEMBL5837873 0.77 KCNQ3 (0.44) KCNQ3KCNQ2F2SLC6A2SLC6A4
SCHEMBL5838225 0.77 KCNQ3 (0.43) KCNQ3KCNQ2F2KMT2AMEN1
SCHEMBL6739590 0.76 KCNQ3 (0.59) KCNQ3KCNQ2SCN9AKCNQ4KCNQ5
SCHEMBL5718138 0.75 KCNQ3 (0.46) KCNQ3KCNQ2F2MTTP
SCHEMBL5717911 0.75 KCNQ3 (0.44) KCNQ3KCNQ2F2MTTPSCN9A

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 7 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 claimed
US-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2004-06-24 US claimed
US-20030008881-A1 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2003-01-09 US claimed
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.