SCHEMBL5718129

SCHEMBL5718129

NC(=O)[C@@H](NC(=O)[C@@H]1CCCC[C@H]1c1ccc(COC(=O)NN2CCN(CCO)CC2)cc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.44
KCNQ2 O43526 2/20 0.44
F2 P00734 1/20 0.38
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
CYP3A4 P08684 4/20 0.37
TSHR P16473 4/20 0.37
OPRK1 P41145 2/20 0.36
ATM Q13315 1/20 0.36
HTT P42858 1/20 0.36
CASP3 P42574 2/20 0.35
KDM1A O60341 4/20 0.35
MAOA P21397 2/20 0.35
RCOR1 Q9UKL0 2/20 0.35
KDM1B Q8NB78 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
SCHEMBL5717954 0.92 KCNQ3 (0.35) KCNQ3KCNQ2ITGB3ITGA2BOPRK1
SCHEMBL5718138 0.82 KCNQ3 (0.46) KCNQ3KCNQ2F2HTTKDM1A
SCHEMBL5717956 0.81 PRCP (0.36) KCNQ3KCNQ2F2CASP3
SCHEMBL5718148 0.75 KCNQ3 (0.38) KCNQ3KCNQ2OPRK1
SCHEMBL6801993 0.74 KCNQ3 (0.54) KCNQ3KCNQ2F2TSHRKDM1A
SCHEMBL5838749 0.74 KCNQ3 (0.41) KCNQ3KCNQ2F2HTT
SCHEMBL5718093 0.73 KCNQ3 (0.53) KCNQ3KCNQ2F2HTTMAOA
SCHEMBL6391978 0.69 SMN1; SMN2 (0.50) F2CYP3A4TSHRHTT
SCHEMBL6389440 0.69 SMN1; SMN2 (0.50) F2CYP3A4TSHRHTT
SCHEMBL5839244 0.69 KCNQ3 (0.47) KCNQ3KCNQ2F2HTT

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 5 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 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 1282/4885F2 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.