SCHEMBL6183130

SCHEMBL6183130

CC(C)CCN(C(=O)c1ccc(NC(=O)N2CCN(c3ncccn3)CC2)cc1)C(=O)N(C)C#N

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
MAPK1 P28482 2/20 0.49
LMNA P02545 1/20 0.49
NAMPT P43490 6/20 0.48
PANK3 Q9H999 5/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL6182403 0.91 GAA (0.47) GAAMAPK1LMNANAMPTPANK3
SCHEMBL6183132 0.87 GAA (0.48) GAAMAPK1LMNANAMPTPANK3
SCHEMBL6182144 0.83 NAMPT (0.46) GAALMNANAMPTKMT2AMEN1
SCHEMBL7486324 0.83 FAAH (0.53) MAPK1NAMPTMAPTKDM4E
SCHEMBL6183489 0.81 NAMPT (0.46) NAMPTKMT2AMEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL6182095 0.79 PRKAB2 (0.50) MAPK1NAMPTMAPTKDM4E
SCHEMBL6182405 0.78 GAA (0.46) GAAMAPK1LMNANAMPTPANK3
SCHEMBL7447953 0.77 NAMPT (0.43) GAAMAPK1LMNANAMPTKMT2A
SCHEMBL6186854 0.76 NPC1 (0.48) TSHRKDM4EALDH1A1
SCHEMBL6182151 0.71 NAMPT (0.44) GAALMNANAMPTKMT2AMEN1

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-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 EP disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 US disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 GAA 331/4885MAPK1 2648/4885LMNA 1379/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 GAA 331/4885MAPK1 2648/4885LMNA 1379/4885

“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.