SCHEMBL743980

SCHEMBL743980

C[C](c1ccccn1)N1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
KLF5 Q13887 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNA5 P22460 3/20 0.43
KCNE1 P15382 1/20 0.43
LMNA P02545 3/20 0.43
CHRM1 P11229 1/20 0.43
ADRA2B P18089 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL969439 0.79 L3MBTL1 (0.83) L3MBTL1ALDH1A1MAPTNPC1PKM
SCHEMBL31305639 0.79 L3MBTL1 (0.83) L3MBTL1ALDH1A1MAPTNPC1PKM
SCHEMBL5774366 0.76 HSP90AA1 (0.55) HSP90AA1L3MBTL1ALDH1A1MAPTNPC1
SCHEMBL18228118 0.76 L3MBTL1 (0.86) L3MBTL1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL3390298 0.76 L3MBTL1 (0.86) L3MBTL1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL3973786 0.75 CYP3A4 (0.42) HSP90AA1KDM4EMAPTSMN1; SMN2ADRA1A
SCHEMBL22056133 0.74 HSP90AA1 (1.00) HSP90AA1ALDH1A1KDM4EHTTRAB9A
SCHEMBL10743351 0.74 HSP90AA1 (0.73) HSP90AA1L3MBTL1ALDH1A1KDM4ENPC1
SCHEMBL9320858 0.74 HSP90AA1 (1.00) HSP90AA1ALDH1A1KDM4EHTTRAB9A
SCHEMBL10746315 0.74 HSP90AA1 (0.73) HSP90AA1L3MBTL1ALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230140054-A1 METHODS, PROCESSES AND INTERMEDIATES FOR PREPARING CHROMAN COMPOUNDS LUPIN LIMITED (IN) 2023-05-04 US disclosed
US-20230049917-A1 Pharmaceutical Composition of CASR Modulators and Methods and Uses Thereof LUPIN LIMITED (IN) 2023-02-16 US disclosed
WO-2021144814-A1 METHODS, PROCESSES AND INTERMEDIATES FOR PREPARING CHROMAN COMPOUNDS LUPIN LIMITED (IN) 2021-07-22 WO disclosed
WO-2021130779-A1 PHARMACEUTICAL COMPOSITION OF CASR MODULATORS AND METHODS AND USES THEREOF LUPIN LIMITED (IN) 2021-07-01 WO disclosed
EP-1906945-B1 HCV INHIBITORS VIROBAY INC (US) 2015-08-05 EP disclosed
EP-2511257-B1 Composition comprising an alpha ketoamide compound as cysteine protease inhibitor VIROBAY INC (US) 2015-06-17 EP disclosed
US-8518874-B2 HCV inhibitors VIROBAY, INC. (US) 2013-08-27 US disclosed
US-8450373-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2013-05-28 US disclosed
EP-1865940-B1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2013-02-13 EP disclosed
EP-2511257-A2 Alpha ketoamide compounds as cysteine protease inhibitors ViroBay, Inc. (US) 2012-10-17 EP disclosed
US-20090170909-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2009-07-02 US disclosed
US-7488848-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-02-10 US disclosed
WO-2008086053-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-17 WO disclosed
US-20080161254-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-03 US disclosed
EP-1865940-A2 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Applera Corporation (US) 2007-12-19 EP disclosed
EP-1866276-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2007-12-19 EP disclosed
US-20070054864-A1 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections QUEST DIAGNOSTICS INVESTMENTS LLC 2007-03-08 US disclosed
US-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors APPLERA CORPORATION (US) 2007-01-25 US disclosed
WO-2006102243-A2 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS APPLERA CORPORATION (US) 2006-09-28 WO disclosed
WO-2006102423-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2006-09-28 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 (6 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-20230140054-A1 METHODS, PROCESSES AND INTERMEDIATES FOR PREPARING CHROMAN COMPOUNDS CASR, CALCR, RYR1 HSP90AA1 4637/4885L3MBTL1 4452/4885ALDH1A1 2602/4885
US-20080161254-A1 HCV INHIBITORS HAVCR2, ZC3HAV1, EIF2AK2 HSP90AA1 1365/4885L3MBTL1 4220/4885ALDH1A1 1800/4885
US-20090170909-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB HSP90AA1 596/4885L3MBTL1 1488/4885ALDH1A1 2023/4885
US-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors CTSS, CTSF, CTSB HSP90AA1 596/4885L3MBTL1 1488/4885ALDH1A1 2023/4885
US-20230049917-A1 Pharmaceutical Composition of CASR Modulators and Methods and Uses Thereof CASR, CALCR, PTH1R HSP90AA1 4366/4885L3MBTL1 4863/4885ALDH1A1 3915/4885
US-20070054864-A1 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections HAVCR2, EIF2AK2, GTF3C1 HSP90AA1 1528/4885L3MBTL1 3860/4885ALDH1A1 768/4885

“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.