SCHEMBL13656328

SCHEMBL13656328

CC(C)(C)OCCN1CCC(C(N)=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
LTA4H P09960 4/20 0.47
KCNH2 Q12809 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
GAA P10253 2/20 0.45
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.40
CHRM1 P11229 1/20 0.39

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
SCHEMBL13887620 0.85 KCNH2 (0.47) SMN1; SMN2LTA4HKCNH2CACNA1IHRH3
SCHEMBL12788362 0.85 KCNH2 (0.47) SMN1; SMN2LTA4HKCNH2CACNA1I
SCHEMBL12788363 0.82 BCHE (0.58) LTA4HGAAALDH1A1MAPK1
SCHEMBL1438744 0.81 SMN1; SMN2 (0.66) SMN1; SMN2LTA4HGAAHRH3ALDH1A1
SCHEMBL14176791 0.80 KCNH2 (0.44) SMN1; SMN2LTA4HKCNH2CACNA1IGAA
SCHEMBL12788366 0.80 KCNH2 (0.52) SMN1; SMN2LTA4HKCNH2GAAHRH3
Hydrochloric Acid SCHEMBL28743044 0.80 SMN1; SMN2 (0.64) SMN1; SMN2LTA4HGAAHRH3ALDH1A1
SCHEMBL30230392 0.79 SMN1; SMN2 (0.61) SMN1; SMN2LTA4HKCNH2GAAHRH3
SCHEMBL13656341 0.78 SMN1; SMN2 (0.59) SMN1; SMN2KCNH2CACNA1IGAAALDH1A1
SCHEMBL4296034 0.78 KCNH2 (0.45) SMN1; SMN2LTA4HKCNH2CACNA1IGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7514447-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-04-07 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 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-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE SMN1; SMN2 4559/4885LTA4H 1304/4885KCNH2 837/4885

“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.