SCHEMBL6020673

SCHEMBL6020673

N#CCCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.61
CTSL P07711 2/20 0.54
BRS3 P32247 3/20 0.51
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
FPR1 P21462 1/20 0.49
FPR2 P25090 1/20 0.49
NMBR P28336 1/20 0.49
TACR3 P29371 1/20 0.48
F10 P00742 1/20 0.47
CNR2 P34972 1/20 0.47

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
SCHEMBL6020455 0.92 CTSL (0.65) EPHX2CTSLBRS3CTSSCTSK
SCHEMBL6021425 0.83 BRS3 (0.68) CTSLBRS3CTSSCTSKNMBR
SCHEMBL6021895 0.83 FPR2 (0.58) CTSLBRS3CTSSCTSKFPR1
SCHEMBL6020454 0.82 CTSL (0.51) EPHX2CTSLCTSSCTSKF10
SCHEMBL6020566 0.82 F10 (0.66) EPHX2CTSLCTSSCTSKF10
SCHEMBL6018654 0.81 CTSL (0.55) CTSLBRS3CTSSCTSKNMBR
SCHEMBL6021350 0.81 CTSL (0.66) CTSLBRS3CTSSCTSKNMBR
SCHEMBL6021069 0.81 CTSL (0.54) CTSLBRS3CTSSCTSKFPR1
SCHEMBL6020665 0.81 EPHX2 (0.55) EPHX2CTSLCTSSCTSKNMBR
SCHEMBL6020002 0.80 CTSL (0.55) CTSLBRS3CTSSCTSKFPR1

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 EPHX2 8/4885CTSL 2274/4885BRS3 1592/4885

“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.