SCHEMBL5718010

SCHEMBL5718010

NCC(=O)Nc1ccccc1C(=O)[C@H]1CCCC[C@H]1c1ccc(CN(C(=O)N(CCO)CCO)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 6/20 0.34
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
PDK1 Q15118 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL5718014 0.87 LTB4R2 (0.40) LTB4R2KCNQ3KCNQ2KDM4ENPC1
SCHEMBL5718013 0.78 KCNQ3 (0.37) LTB4R2KCNQ3KCNQ2SLC6A2SLC6A4
SCHEMBL5718068 0.77 ATM (0.40) LTB4R2KCNQ3KCNQ2SLC6A2SLC6A4
SCHEMBL5839005 0.72 SLC6A2 (0.39) LTB4R2SLC6A2SLC6A4CHRM2CHRM1
SCHEMBL5837873 0.72 KCNQ3 (0.44) LTB4R2KCNQ3KCNQ2SLC6A2SLC6A4
SCHEMBL5864496 0.71 PPARG (0.44) AGTR1
SCHEMBL5846941 0.69 GAA (0.40) LTB4R2SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL5718166 0.69 GAA (0.40) LTB4R2SMN1; SMN2CHRM2CHRM1CHRM3
Bicarbonate SCHEMBL5718071 0.68 STAT3 (0.46) ALDH1A1ATM
SCHEMBL5864456 0.66 CYP2D6 (0.44) CHRM1GAA

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 LTB4R2 2152/4885KCNQ3 1604/4885KCNQ2 1282/4885
US-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use TNNI3, PAH, P4HA1 LTB4R2 2152/4885KCNQ3 1604/4885KCNQ2 1282/4885

“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.