SCHEMBL6020644

SCHEMBL6020644

N#CCCNC(=O)C(Cc1ccc(O)cc1)NC(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.58
EPHX2 P34913 5/20 0.56
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
KMT2A Q03164 2/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.42
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
EPHX1 P07099 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 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
SCHEMBL6020484 0.91 CTSL (0.57) F10EPHX2NPSR1KMT2ACTSL
SCHEMBL6020566 0.91 F10 (0.66) F10EPHX2CTSLCTSSCTSK
SCHEMBL6021308 0.85 F10 (0.56) F10EPHX2CTSLCTSSCTSK
SCHEMBL6020635 0.82 F10 (0.63) F10EPHX2CTSLCTSSCTSK
SCHEMBL6021503 0.79 EPHX2 (0.45) F10EPHX2KMT2ALMNAMEN1
SCHEMBL6020504 0.79 ANPEP (0.59) CTSLCTSSCTSKALDH1A1
SCHEMBL6020058 0.78 CHRNB2 (0.48) EPHX2CHRM2CHRM1CHRM3CTSL
SCHEMBL6020638 0.78 EPHX2 (0.50) F10EPHX2NPSR1KMT2ACTSL
SCHEMBL6021369 0.78 ATM (0.52) CTSLCTSSCTSK
SCHEMBL6021496 0.78 CTSS (0.62) CTSLCTSSCTSK

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 9 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-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 F10 2907/4885EPHX2 8/4885CHRM2 630/4885

“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.