SCHEMBL6019864

SCHEMBL6019864

CCN(C#N)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)CCc1c[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MC5R P33032 11/20 0.52
MC1R Q01726 3/20 0.52
CCKBR P32239 1/20 0.47
MC3R P41968 9/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HCRTR1 O43613 1/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
MC4R P32245 6/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
TACR1 P25103 1/20 0.44
GFER P55789 1/20 0.43

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
SCHEMBL6020403 0.95 MEN1 (0.54) MC5RMC1RCCKBRMC3RMEN1
SCHEMBL6020581 0.92 MC5R (0.57) MC5RMC1RCCKBRMC3RMEN1
SCHEMBL6020404 0.90 KMT2A (0.51) MC3RMEN1KMT2AHCRTR1MAPT
SCHEMBL6019545 0.90 GFER (0.53) MEN1KMT2AHCRTR1MAPTALDH1A1
SCHEMBL6019870 0.89 MEN1 (0.57) CCKBRMEN1KMT2AHCRTR1MAPT
SCHEMBL6021107 0.85 KMT2A (0.58) MC3RMEN1KMT2AHCRTR1MAPT
SCHEMBL6019737 0.85 MEN1 (0.55) MC5RMC1RCCKBRMC3RMEN1
SCHEMBL6020355 0.85 MEN1 (0.55) MEN1KMT2AHCRTR1MAPTLMNA
SCHEMBL6021089 0.84 MEN1 (0.66) CCKBRMEN1KMT2AHCRTR1MAPT
SCHEMBL6021507 0.84 ALDH1A1 (0.49) MEN1KMT2AHCRTR1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO claimed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 MC5R 1084/4885MC1R 1615/4885CCKBR 531/4885

“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.