SCHEMBL5839005

SCHEMBL5839005

CCN(CCO)C(=O)N(Cc1ccc([C@@H]2CCCC[C@H]2C(=O)OC(C)(C)C)cc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 1/20 0.39
PTPRB P23467 1/20 0.38
PTPN11 Q06124 1/20 0.38
ATM Q13315 1/20 0.36
NR1H4 Q96RI1 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
USP2 O75604 1/20 0.34
LTB4R2 Q9NPC1 4/20 0.34
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
STAT3 P40763 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NCOR2 Q9Y618 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
SCHEMBL5839474 0.91 SLC6A2 (0.36) SLC6A2SLC6A4NR1H4LTB4R2CHRM1
SCHEMBL5838284 0.89 SLC6A2 (0.37) SLC6A2SLC6A4PTPRBPTPN11ATM
SCHEMBL5718068 0.88 ATM (0.40) SLC6A2SLC6A4ATMLMNALTB4R2
SCHEMBL5839575 0.81 KDM1A (0.34) SLC6A2SLC6A4NR1H4LMNASTAT3
SCHEMBL5846941 0.80 GAA (0.40) LTB4R2CHRM2CHRM1CHRM3CHRM5
SCHEMBL5718166 0.80 GAA (0.40) LTB4R2CHRM2CHRM1CHRM3CHRM5
SCHEMBL7068481 0.80 ATM (0.36) SLC6A2SLC6A4PTPRBPTPN11ATM
Bicarbonate SCHEMBL5718071 0.79 STAT3 (0.46) ATMLMNASTAT3CNR1CNR2
SCHEMBL5837873 0.78 KCNQ3 (0.44) SLC6A2SLC6A4ATMLTB4R2
SCHEMBL5838740 0.77 PTPRB (0.42) SLC6A2SLC6A4PTPRBPTPN11NR1H4

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 2 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 disclosed
US-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2004-06-24 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 (1 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-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use TNNI3, PAH, P4HA1 SLC6A2 1862/4885SLC6A4 2786/4885PTPRB 3782/4885

“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.