SCHEMBL4041814

SCHEMBL4041814

CC(=O)NC(CC(C)C)C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.79
CTSS P25774 3/20 0.58
CCR1 P32246 1/20 0.40
ACE2 Q9BYF1 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL4047492 0.96 CTSK (0.74) CTSKCTSSCCR1ACE2MEN1
SCHEMBL4041000 0.96 CTSK (0.73) CTSKCTSSCCR1ACE2MEN1
SCHEMBL4038740 0.96 CTSK (0.73) CTSKCTSSCCR1ACE2MEN1
SCHEMBL4042018 0.95 CTSK (0.75) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4038286 0.95 CTSK (0.72) CTSKCTSSCCR1ACE2MEN1
SCHEMBL4048700 0.94 CTSK (0.73) CTSKCTSSCCR1
SCHEMBL4040527 0.94 CTSK (0.73) CTSKCTSSCCR1CTSVCTSL
SCHEMBL4037118 0.92 CTSK (0.71) CTSKCTSSCTSVCTSL
SCHEMBL4039416 0.92 CTSK (0.78) CTSKCTSSCCR1MEN1ALDH1A1
SCHEMBL4045117 0.92 CTSK (0.70) CTSKCTSSCTSVCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO 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 (4 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 CTSK 1880/4885CTSS 3389/4885CCR1 1957/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS CTSK 2460/4885CTSS 2896/4885CCR1 475/4885
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES FSHR, GNRHR, HNMT CTSK 248/4885CTSS 209/4885CCR1 2015/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885CCR1 100/4885

“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.