SCHEMBL9766473

SCHEMBL9766473

CC(=O)NCCN(C)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
MTNR1A P48039 6/20 0.41
MTNR1B P49286 6/20 0.41
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
DRD3 P35462 1/20 0.36
PAOX Q6QHF9 3/20 0.35
CHRM4 P08173 1/20 0.34
ADRA1A P35348 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL13744640 0.93 ALDH1A1 (0.41) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL13135507 0.92 ACHE (0.39) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL13135925 0.91 ACHE (0.41) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL13135926 0.91 ACHE (0.41) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL13135923 0.91 ACHE (0.41) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL13136119 0.88 PIK3CD (0.43) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL21167214 0.86 KDM4E (0.41) KDM4EMTNR1AMTNR1BALDH1A1DRD3
SCHEMBL13744850 0.83 KDM4E (0.42) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL13135499 0.80 KMT2A (0.44) KDM4EMAPK1HIF1ADRD3ADRA1A
SCHEMBL13136215 0.80 KDM4E (0.41) KDM4EMAPK1HIF1AMTNR1AMTNR1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
US-5010108-A Treatment of gastrointestinal disorders POLI INDUSTRIA CHIMICA S.P.A. (IT) 1991-04-23 US disclosed
EP-0333073-A2 N-cycloalkylaminoethylbenzamide derivatives, their synthesis and pharmaceutical preparations POLI INDUSTRIA CHIMICA S.p.A. (IT) 1989-09-20 EP 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-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 KDM4E 1908/4885MAPK1 211/4885HIF1A 1281/4885

“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.