SCHEMBL4413086

SCHEMBL4413086

CCc1nnn(C(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4405874 0.83
SCHEMBL4405676 0.80 GRIK1 (0.31) NPC1RAB9A
SCHEMBL4407194 0.79 DAGLA (0.31)
SCHEMBL4414779 0.78
SCHEMBL1303315 0.77 NPC1 (0.31) NPC1RAB9A
SCHEMBL1779528 0.77 DAGLA (0.30)
SCHEMBL1303314 0.77
SCHEMBL13188863 0.74 CYP2D6 (0.31)
SCHEMBL13188924 0.74 HTR1A (0.32)
SCHEMBL4408047 0.71 TRPV1 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 US disclosed
US-20210078999-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF CHARLES RIVER LABORATORIES, INC. 2021-03-18 US disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 US disclosed
US-8951998-B2 Quinoxaline-containing compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-8124584-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-8101567-B2 Heteroaryl-containing tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-7718769-B2 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS MIAO ZHENWEI 2009-12-10 US disclosed
US-7601709-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-13 US disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed
US-7273851-B2 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-20070161575-A1 Tri-peptide hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-07-12 US disclosed
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 US 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 (8 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-11787796-B2 Plasma Kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 NPC1 1952/4885RAB9A 3309/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI NPC1 2/4885RAB9A 1430/4885
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS PRSS1, CTSC, SPINT2 NPC1 181/4885RAB9A 2356/4885
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE EIF2AK2, GTF3C5, GTF3C1 NPC1 1136/4885RAB9A 566/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 NPC1 1934/4885RAB9A 1162/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 NPC1 187/4885RAB9A 3162/4885
US-20070161575-A1 Tri-peptide hepatitis C serine protease inhibitors PRSS1, VIP, HPN NPC1 260/4885RAB9A 3149/4885
US-20210078999-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF KLKB1, KLK1, KLK5 NPC1 1952/4885RAB9A 3309/4885

“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.