SCHEMBL5718138

SCHEMBL5718138

NC(=O)[C@@H](NC(=O)[C@@H]1CCCC[C@H]1c1ccc(CN(C(=O)O)N2CCN(CCO)CC2)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.46
KCNQ2 O43526 3/20 0.46
HTT P42858 1/20 0.37
F2 P00734 2/20 0.36
SIGMAR1 Q99720 3/20 0.34
CHRM3 P20309 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM1A O60341 1/20 0.33
PRCP P42785 2/20 0.33
KCNH2 Q12809 2/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
MTTP P55157 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
SCHEMBL5718148 0.93 KCNQ3 (0.38) KCNQ3KCNQ2PRCPKCNH2DRD2
SCHEMBL5718129 0.82 KCNQ3 (0.44) KCNQ3KCNQ2HTTF2KDM1A
SCHEMBL5718093 0.81 KCNQ3 (0.53) KCNQ3KCNQ2HTTF2ALDH1A1
SCHEMBL6801993 0.76 KCNQ3 (0.54) KCNQ3KCNQ2F2ALDH1A1KDM1A
SCHEMBL5838152 0.75 KCNQ3 (0.48) KCNQ3KCNQ2F2MTTP
SCHEMBL5717968 0.75 KCNQ3 (0.48) KCNQ3KCNQ2F2CHRM3MTTP
SCHEMBL5717911 0.75 KCNQ3 (0.44) KCNQ3KCNQ2F2ALDH1A1PRCP
SCHEMBL5837873 0.74 KCNQ3 (0.44) KCNQ3KCNQ2F2MTTP
SCHEMBL5717954 0.74 KCNQ3 (0.35) KCNQ3KCNQ2SIGMAR1KDM1APRCP
SCHEMBL5717972 0.73 KCNQ3 (0.41) KCNQ3KCNQ2F2CHRM3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318977-B1 SUBSTITUTED PHENYLCYCLOHEXANE CARBOXYLIC ACID AMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-12-06 EP 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
EP-1318977-B1 SUBSTITUTED PHENYLCYCLOHEXANE CARBOXYLIC ACID AMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-12-06 EP disclosed
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 1282/4885HTT 2353/4885
US-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use TNNI3, PAH, P4HA1 KCNQ3 1604/4885KCNQ2 1282/4885HTT 2353/4885

“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.