SCHEMBL6019586

SCHEMBL6019586

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
NLRP3 Q96P20 3/20 0.48
POLB P06746 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FPR2 P25090 4/20 0.41
FPR1 P21462 3/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CHRM3 P20309 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6020940 0.92 NPC1 (0.48) NPC1RAB9ANLRP3POLBTDP1
SCHEMBL6021552 0.88 NPC1 (0.47) NPC1RAB9APOLBTDP1MEN1
SCHEMBL6020742 0.85 NPC1 (0.48) NPC1RAB9APOLBTDP1MEN1
SCHEMBL6021275 0.83 NPC1 (0.46) NPC1RAB9APOLBTDP1MEN1
SCHEMBL6021346 0.83 CHRM2 (0.46) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL6020437 0.82 FPR2 (0.52) FPR2FPR1CHRM3
SCHEMBL6019362 0.82 CTSL (0.54) NPC1RAB9ANLRP3FPR2FPR1
SCHEMBL6019512 0.82 CTSL (0.50) FPR2FPR1CTSLCTSBCTSS
SCHEMBL6020374 0.80 FPR2 (0.53) MEN1KMT2AFPR2FPR1CTSL
SCHEMBL6020228 0.80 CTSL (0.42) NPC1RAB9APOLBTDP1MEN1

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 NPC1 3877/4885RAB9A 841/4885NLRP3 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.