SCHEMBL5718166

SCHEMBL5718166

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
LTB4R2 Q9NPC1 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
STAT3 P40763 3/20 0.35
CCR5 P51681 1/20 0.35
OPRM1 P35372 1/20 0.35
GPR88 Q9GZN0 1/20 0.35
MLYCD O95822 1/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
TBXA2R P21731 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM2 P08172 1/20 0.34
SSTR3 P32745 1/20 0.34

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
SCHEMBL5846941 1.00 GAA (0.40) GAASMN1; SMN2LTB4R2TAAR1CNR2
SCHEMBL5718068 0.91 ATM (0.40) GAALTB4R2CNR2CNR1
SCHEMBL5839474 0.88 SLC6A2 (0.36) GAALTB4R2CNR2CNR1STAT3
SCHEMBL7067646 0.86 SMN1; SMN2 (0.34) SMN1; SMN2LTB4R2TAAR1CNR2CNR1
Bicarbonate SCHEMBL5718168 0.85 STAT3 (0.46) GAACNR2CNR1STAT3
SCHEMBL5718048 0.83 PRCP (0.36) GAASMN1; SMN2LTB4R2CNR2CNR1
SCHEMBL5839005 0.80 SLC6A2 (0.39) LTB4R2CNR2CNR1STAT3CHRM1
SCHEMBL5839479 0.78 GAA (0.36) GAALTB4R2CNR2CNR1STAT3
SCHEMBL7068481 0.78 ATM (0.36) CNR2CNR1STAT3CHRM1CHRM3
SCHEMBL5839575 0.77 KDM1A (0.34) CNR2CNR1STAT3CCR5OPRM1

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 GAA 1195/4885SMN1; SMN2 2130/4885LTB4R2 2152/4885
US-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use TNNI3, PAH, P4HA1 GAA 1195/4885SMN1; SMN2 2130/4885LTB4R2 2152/4885

“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.