SCHEMBL6019593

SCHEMBL6019593

N#CCCNC(=O)C(Cc1ccc(O)cc1)NC(=O)Nc1ccc2c(c1)CCC2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 8/20 0.47
FPR1 P21462 6/20 0.47
NLRP3 Q96P20 2/20 0.46
CHRM2 P08172 7/20 0.46
CHRM3 P20309 7/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CTSL P07711 1/20 0.43
CHRM1 P11229 5/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 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
SCHEMBL6020945 0.91 NPC1 (0.49) FPR2FPR1NLRP3NPC1RAB9A
SCHEMBL6019362 0.90 CTSL (0.54) FPR2FPR1NLRP3NPC1RAB9A
SCHEMBL6021562 0.88 CTSS (0.48) FPR2FPR1CHRM2CHRM3NPC1
SCHEMBL6020745 0.84 NPC1 (0.46) NPC1RAB9A
SCHEMBL6020763 0.82 CTSL (0.57) NLRP3NPC1RAB9ACTSLCTSS
SCHEMBL6021354 0.82 CHRM2 (0.47) FPR2FPR1CHRM2CHRM3NPC1
SCHEMBL6020443 0.82 FPR2 (0.60) FPR2FPR1CHRM2CHRM3
SCHEMBL6021278 0.82 NPC1 (0.43) NPC1RAB9A
SCHEMBL6019515 0.81 CTSL (0.54) FPR2FPR1CHRM2CHRM3CTSL
SCHEMBL6020381 0.80 FPR2 (0.54) FPR2FPR1CHRM2CHRM3CTSL

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 FPR2 3247/4885FPR1 3451/4885NLRP3 1809/4885

“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.