SCHEMBL5718013

SCHEMBL5718013

O=C(CNC(=O)[C@@H]1CCCC[C@H]1c1ccc(CN(C(=O)N(CCO)CCO)c2ccccc2)cc1)Nc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.37
KCNQ2 O43526 2/20 0.37
KDM1A O60341 2/20 0.35
RCOR1 Q9UKL0 1/20 0.35
EPHX2 P34913 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
GCGR P47871 2/20 0.33
GIPR P48546 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
PDK1 Q15118 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 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
SCHEMBL5718017 0.87 LTB4R2 (0.40) KCNQ3KCNQ2KDM1ARCOR1EPHX2
SCHEMBL5718068 0.78 ATM (0.40) KCNQ3KCNQ2LTB4R2SLC6A2SLC6A4
SCHEMBL5718010 0.78 LTB4R2 (0.34) KCNQ3KCNQ2LTB4R2SLC6A2SLC6A4
SCHEMBL5837873 0.74 KCNQ3 (0.44) KCNQ3KCNQ2LTB4R2SLC6A2SLC6A4
SCHEMBL5839005 0.73 SLC6A2 (0.39) LTB4R2SLC6A2SLC6A4
SCHEMBL5864499 0.71 POLB (0.45) POLBMAPT
SCHEMBL5718166 0.70 GAA (0.40) LTB4R2GAA
SCHEMBL5846941 0.70 GAA (0.40) LTB4R2GAA
SCHEMBL4817714 0.69 MAPT (0.50) KDM1AEPHX2POLBALDH1A1GAA
Bicarbonate SCHEMBL5718071 0.69 STAT3 (0.46) ALDH1A1

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 1282/4885KDM1A 888/4885
US-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use TNNI3, PAH, P4HA1 KCNQ3 1604/4885KCNQ2 1282/4885KDM1A 888/4885

“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.