SCHEMBL5718005

SCHEMBL5718005

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
LMNA P02545 1/20 0.55
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 3/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
S1PR3 Q99500 1/20 0.44
MAPK1 P28482 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7161662 1.00 SMN1; SMN2 (0.55) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL5838994 0.86 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
Bicarbonate SCHEMBL5718008 0.84 SMN1; SMN2 (0.61) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL5717993 0.83 KCNQ3 (0.46) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL7067895 0.82 KCNQ3 (0.45) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL7776521 0.79 POLB (0.71) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL5838998 0.75 SMN1; SMN2 (0.48) SMN1; SMN2LMNAALDH1A1HPGDKDM4E
SCHEMBL6737598 0.75 SLC6A2 (0.45) MEN1KMT2A
SCHEMBL6733188 0.72 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1POLB
SCHEMBL6844383 0.71 KCNQ3 (0.49) SMN1; SMN2MEN1KMT2A

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 SMN1; SMN2 2130/4885LMNA 94/4885ALDH1A1 349/4885
US-20040122004-A1 Substituted phenylcyclohexanecarboxamides and their use TNNI3, PAH, P4HA1 SMN1; SMN2 2130/4885LMNA 94/4885ALDH1A1 349/4885

“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.