SCHEMBL5839474

SCHEMBL5839474

CCN(CCO)C(=O)N(Cc1ccc([C@@H]2CCCC[C@H]2C(=O)OC(C)(C)C)cc1)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.36
KDM1A O60341 3/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GAA P10253 1/20 0.35
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
STAT3 P40763 1/20 0.34
MLYCD O95822 1/20 0.33
CCR5 P51681 1/20 0.33
TACR1 P25103 1/20 0.33
TACR3 P29371 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
SLC6A4 P31645 1/20 0.32
KCNQ4 P56696 1/20 0.32
KCNQ5 Q9NR82 1/20 0.32
OPRM1 P35372 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 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
SCHEMBL5839005 0.91 SLC6A2 (0.39) SLC6A2CNR2CNR1STAT3LTB4R2
SCHEMBL5839575 0.90 KDM1A (0.34) SLC6A2KDM1AHDAC8HDAC6CNR2
SCHEMBL5718166 0.88 GAA (0.40) GAACNR2CNR1STAT3MLYCD
SCHEMBL5846941 0.88 GAA (0.40) GAACNR2CNR1STAT3MLYCD
SCHEMBL5838284 0.81 SLC6A2 (0.37) SLC6A2CNR2CNR1STAT3SLC6A4
SCHEMBL7067646 0.80 SMN1; SMN2 (0.34) SLC6A2CNR2CNR1STAT3CCR5
SCHEMBL5718068 0.79 ATM (0.40) SLC6A2GAACNR2CNR1LTB4R2
Bicarbonate SCHEMBL5718168 0.79 STAT3 (0.46) GAACNR2CNR1STAT3
SCHEMBL5718048 0.79 PRCP (0.36) GAACNR2CNR1CCR5LTB4R2
SCHEMBL5839479 0.76 GAA (0.36) GAACNR2CNR1STAT3MLYCD

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 1862/4885KDM1A 888/4885HDAC8 688/4885

“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.