SCHEMBL10590807

SCHEMBL10590807

CC1(NC(=O)c2ccccc2)CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.54
ADRB2 P07550 1/20 0.52
LMNA P02545 1/20 0.51
CTSL P07711 4/20 0.51
CNR2 P34972 1/20 0.48
FAAH O00519 1/20 0.47
ANO1 Q5XXA6 2/20 0.46
HTT P42858 2/20 0.46
CTSB P07858 2/20 0.46
CTSS P25774 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
APAF1 O14727 1/20 0.45
TDP2 O95551 1/20 0.45
NSD2 O96028 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ABL1 P00519 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45

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
SCHEMBL29120775 0.98 LMNA (0.53) CTSKADRB2LMNACTSLCNR2
SCHEMBL10604536 0.95 CTSL (0.49) CTSKADRB2LMNACTSLFAAH
SCHEMBL12987195 0.91 FAAH (0.51) CTSKADRB2LMNACTSLFAAH
SCHEMBL4309743 0.84 MEN1 (0.54) LMNACNR2GAAMEN1ALDH1A1
SCHEMBL21198730 0.84 ALDH1A1 (0.51) LMNACTSLFAAHANO1HTT
SCHEMBL14744166 0.83 FAAH (0.45) CTSKLMNACTSLFAAHHTT
SCHEMBL95281 0.83 CNR2 (0.49) CTSKADRB2CTSLCNR2ANO1
SCHEMBL28149788 0.83 ANO1 (0.50) CNR2ANO1HTTKDM4EMEN1
SCHEMBL16565618 0.81 ATM (0.49) CTSLFAAHHTTGAAALDH1A1
SCHEMBL2961563 0.81 CNR2 (0.47) CTSKLMNACTSLCNR2ANO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9245290-B2 Caspase inhibitors and uses thereof BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2016-01-26 US disclosed
US-20140011847-A1 CASPASE INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-01-09 US disclosed
US-8518942-B2 Caspase inhibitors and uses thereof BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2013-08-27 US disclosed
US-20110230527-A1 CASPASE INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2011-09-22 US disclosed
US-7417129-B2 Combinatorial libraries of monosaccharides ALCHEMIA PTY LTD (AU) 2008-08-26 US disclosed
EP-0344414-A1 5-Substitued imidazo[4,5-c]pyridines G.D. Searle & Co. (US) 1989-12-06 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 (2 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-20110230527-A1 CASPASE INHIBITORS AND USES THEREOF CASP6, CASP3, CASP2 CTSK 157/4885ADRB2 4885/4885LMNA 1836/4885
US-20140011847-A1 CASPASE INHIBITORS AND USES THEREOF CASP6, CASP3, CASP2 CTSK 157/4885ADRB2 4885/4885LMNA 1836/4885

“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.