SCHEMBL2157208

SCHEMBL2157208

CN1CCN(c2nc(-c3cc[c]cc3)cs2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
POLB P06746 1/20 0.58
RAB9A P51151 8/20 0.57
AR P10275 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
TP53 P04637 2/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NPC1 O15118 5/20 0.52
LMNA P02545 3/20 0.52
HPGD P15428 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL14183837 0.85 SMN1; SMN2 (0.72) ALDH1A1POLBRAB9AARSMN1; SMN2
SCHEMBL4612667 0.85 MAPT (0.49) RAB9AARSMN1; SMN2TP53ALOX15
SCHEMBL8043279 0.84 RAB9A (0.61) ALDH1A1POLBRAB9AARSMN1; SMN2
SCHEMBL14046467 0.82 CHEK1 (0.57) ALDH1A1POLBRAB9AARSMN1; SMN2
SCHEMBL12669971 0.80 ALDH1A1 (0.56) ALDH1A1POLBRAB9AARSMN1; SMN2
SCHEMBL12632067 0.80 ALDH1A1 (0.56) ALDH1A1POLBRAB9AARSMN1; SMN2
SCHEMBL6407201 0.79 ALDH1A1 (0.54) ALDH1A1POLBRAB9AARSMN1; SMN2
SCHEMBL2559636 0.79 RAB9A (0.64) ALDH1A1POLBRAB9AARSMN1; SMN2
SCHEMBL6407199 0.79 ALDH1A1 (0.54) ALDH1A1POLBRAB9AARSMN1; SMN2
SCHEMBL1169212 0.78 CHEK1 (0.58) ALDH1A1POLBRAB9ASMN1; SMN2HSD17B10

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877927-B2 Furo[3,2-B] pyrrol -3-one derivatives and their use as cysteinyl proteinase inhibitors GRUNENTHAL GMBH (DE) 2014-11-04 US claimed
EP-2046797-B1 FURO [3,2-B]PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LTD (GB) 2012-05-23 EP claimed
US-20100010009-A1 Furo[3,2-B] pyrrol -3-one derivatives and their use as cysteinyl porteinase inhibitors GRUNENTHAL GMBH (DE) 2010-01-14 US claimed
EP-2046797-A1 FURO [3,2-B]PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS Amura Therapeutics Limited (GB) 2009-04-15 EP claimed
WO-2008007127-A1 FURO [3,2-B] PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO claimed
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO claimed
US-8877927-B2 Furo[3,2-B] pyrrol -3-one derivatives and their use as cysteinyl proteinase inhibitors GRUNENTHAL GMBH (DE) 2014-11-04 US disclosed
US-8772336-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA LTD. (CA) 2014-07-08 US disclosed
EP-1908466-B1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAIICHI SANKYO CO LTD (JP) 2014-02-19 EP disclosed
US-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS AXYS PHARMACEUTICALS, INC. (US) 2013-02-07 US disclosed
US-8318748-B2 Cathepsin cysteine protease inhibitors Merck, Sharp & Dohme Corp. (US) 2012-11-27 US disclosed
EP-2046797-B1 FURO [3,2-B]PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LTD (GB) 2012-05-23 EP disclosed
US-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2011-09-22 US disclosed
EP-1482924-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-05-21 EP disclosed
US-7375134-B2 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders AXYS PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
EP-1908466-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-04-09 EP disclosed
WO-2008007127-A1 FURO [3,2-B] PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
US-20050240023-A1 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders MERCK CANADA INC. (CA) 2005-10-27 US disclosed
CN-1638757-A Cathepsin cysteine protease inhibitors MERCK FROSST CANADA INC (CA) 2005-07-13 CN disclosed
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 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-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS CTSB, CTSS, CTSZ ALDH1A1 3969/4885POLB 3286/4885RAB9A 584/4885
US-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ ALDH1A1 4582/4885POLB 3196/4885RAB9A 477/4885
US-20100010009-A1 Furo[3,2-B] pyrrol -3-one derivatives and their use as cysteinyl porteinase inhibitors ABCB1, COLGALT1, SLC40A1 ALDH1A1 910/4885POLB 1876/4885RAB9A 1486/4885
US-20050240023-A1 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders CTSE, CTSS, CTSB ALDH1A1 3683/4885POLB 2011/4885RAB9A 748/4885

“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.