SCHEMBL5717993

SCHEMBL5717993

CC(=O)N(Cc1ccc([C@@H]2CCCC[C@H]2C(=O)N[C@H](C(N)=O)c2ccccc2)cc1)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
F2 P00734 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 2/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
S1PR3 Q99500 1/20 0.36

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
SCHEMBL5838225 0.90 KCNQ3 (0.43) KCNQ3KCNQ2SMN1; SMN2LMNAALDH1A1
SCHEMBL7067895 0.88 KCNQ3 (0.45) KCNQ3KCNQ2SMN1; SMN2LMNAALDH1A1
SCHEMBL5718005 0.83 SMN1; SMN2 (0.55) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL7161662 0.83 SMN1; SMN2 (0.55) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL5718093 0.81 KCNQ3 (0.53) KCNQ3KCNQ2ALDH1A1KDM4EF2
SCHEMBL5717968 0.81 KCNQ3 (0.48) KCNQ3KCNQ2LMNAF2MEN1
SCHEMBL5838152 0.78 KCNQ3 (0.48) KCNQ3KCNQ2LMNAF2MEN1
SCHEMBL5837873 0.76 KCNQ3 (0.44) KCNQ3KCNQ2F2
SCHEMBL6801993 0.76 KCNQ3 (0.54) KCNQ3KCNQ2SMN1; SMN2ALDH1A1HPGD
SCHEMBL5838994 0.76 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1HPGDKDM4E

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 9 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 claimed
US-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2004-06-24 US claimed
US-6649616-B2 For therapy and prophylaxis of cardiovascular disorders caused by ischaemia BAYER AKTIENGESELLSCHAFT (DE) 2003-11-18 US claimed
US-20030008881-A1 Substituted phenylcyclohexanecarboxamides and their use BAYER AKTIENGESELLSCHAFT (DE) 2003-01-09 US claimed
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 1282/4885SMN1; SMN2 2130/4885
US-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use TNNI3, PAH, P4HA1 KCNQ3 1604/4885KCNQ2 1282/4885SMN1; SMN2 2130/4885

“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.