SCHEMBL13656341

SCHEMBL13656341

CC(C)(C)CCN1CCC(C(N)=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 2/20 0.45
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
KCNH2 Q12809 2/20 0.43
CACNA1I Q9P0X4 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
DPP4 P27487 1/20 0.41
SMYD3 Q9H7B4 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
SCHEMBL12788530 0.84 CACNA1I (0.44) SMN1; SMN2POLBKCNH2CACNA1IDPP4
SCHEMBL1495974 0.84 LMNA (0.46) SMN1; SMN2LMNAL3MBTL1KCNH2CACNA1I
SCHEMBL7133315 0.82 SMN1; SMN2 (0.55) SMN1; SMN2KDM4ELMNAMAPK1HIF1A
SCHEMBL5889625 0.81 SMN1; SMN2 (0.63) SMN1; SMN2KDM4EGAAALDH1A1POLB
Water SCHEMBL5552633 0.81 LMNA (0.44) SMN1; SMN2LMNAL3MBTL1KCNH2CACNA1I
SCHEMBL13760558 0.80 BCHE (0.62) SMN1; SMN2LMNAMAPK1GAAALDH1A1
SCHEMBL1438742 0.79 SMN1; SMN2 (0.71) SMN1; SMN2KDM4ELMNAMAPK1HIF1A
SCHEMBL12788532 0.79 SMN1; SMN2 (0.51) SMN1; SMN2LMNAGAAALDH1A1POLB
Water SCHEMBL5552627 0.79 LMNA (0.42) SMN1; SMN2LMNAL3MBTL1KCNH2CACNA1I
SCHEMBL13965741 0.78 HRH3 (0.48) SMN1; SMN2LMNAALDH1A1KCNH2CACNA1I

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-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
US-7160907-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 US disclosed
US-7160907-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 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 (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 4559/4885KDM4E 1022/4885LMNA 710/4885

“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.