SCHEMBL3335527

SCHEMBL3335527

Cc1ccnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TP53 P04637 2/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SYK P43405 1/20 0.44
SSTR4 P31391 1/20 0.39
UHRF1 Q96T88 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
AAK1 Q2M2I8 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
KMT2A Q03164 1/20 0.34
PDPK1 O15530 1/20 0.34
F2 P00734 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
SCHEMBL8257399 0.94 NPC1 (0.45) NPC1RAB9ATP53PKMSMN1; SMN2
SCHEMBL22703159 0.86 NPC1 (0.45) NPC1RAB9ATP53PKMSMN1; SMN2
SCHEMBL828662 0.86 NPC1 (0.42) NPC1RAB9ATP53PKMSMN1; SMN2
SCHEMBL31754779 0.84 SYK (0.41) NPC1RAB9ATP53PKMSMN1; SMN2
SCHEMBL21999271 0.84 SYK (0.41) NPC1RAB9ATP53PKMSMN1; SMN2
SCHEMBL24035707 0.83 SYK (0.41) NPC1RAB9ATP53PKMSMN1; SMN2
SCHEMBL1353862 0.83 SYK (0.41) NPC1RAB9ATP53PKMSMN1; SMN2
SCHEMBL30161746 0.83 SYK (0.41) NPC1RAB9ATP53PKMSMN1; SMN2
SCHEMBL828561 0.82 NPC1 (0.39) NPC1RAB9ATP53PKMSMN1; SMN2
SCHEMBL828278 0.82 USP30 (0.40) NPC1RAB9ATP53PKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4309653-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Exithera Pharmaceuticals Inc. (US) 2024-01-24 EP disclosed
US-20210340105-A1 AMINOPYRIDINE COMPOUNDS AND METHODS FOR THE PREPARATION AND USE THEREOF Cortexyme, Inc. (US) 2021-11-04 US disclosed
US-11059786-B2 Aminopyridine compounds and methods for the preparation and use thereof Cortexyme, Inc. (US) 2021-07-13 US disclosed
US-20200148642-A1 AMINOPYRIDINE COMPOUNDS AND METHODS FOR THE PREPARATION AND USE THEREOF Cortexyme, Inc. (US) 2020-05-14 US disclosed
EP-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed
EP-2626350-A1 CYCLOPROPANE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-08-14 EP disclosed
US-20100144698-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2010-06-10 US disclosed
US-20100144698-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2010-06-10 US disclosed
US-20100144698-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2010-06-10 US disclosed
US-20090143351-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2009-06-04 US disclosed
US-7501404-B2 Substituted azetidinones DAIMED (US) 2009-03-10 US disclosed
EP-1871741-A2 SUBSTITUTED AZETIDINONES Daiamed, Inc. (US) 2008-01-02 EP disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 US disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 US disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 US disclosed
WO-2006108039-A2 SUBSTITUTED AZETIDINONES DAIAMED, INC. (US) 2006-10-12 WO disclosed
WO-2006108039-A2 SUBSTITUTED AZETIDINONES DAIAMED, INC. (US) 2006-10-12 WO disclosed
US-7019019-B2 Matriptase inhibitors and methods of use DENDREON CORPORATION (US) 2006-03-28 US disclosed
US-20040186060-A1 Matriptase inhibitors and methods of use DENDREON CORPORATION 2004-09-23 US disclosed
WO-2004058688-A1 MATRIPTASE INHIBITORS AND METHODS OF USE DENDREON CORPORATION (US) 2004-07-15 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 (7 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-20070105832-A1 Substituted azetidinones F2R, CPA3, CFD NPC1 3423/4885RAB9A 453/4885TP53 4048/4885
US-20200148642-A1 AMINOPYRIDINE COMPOUNDS AND METHODS FOR THE PREPARATION AND USE THEREOF ENPEP, DNPEP, ANPEP NPC1 4466/4885RAB9A 591/4885TP53 900/4885
US-20040186060-A1 Matriptase inhibitors and methods of use MMP7, SPINT2, TMPRSS6 NPC1 2737/4885RAB9A 3843/4885TP53 405/4885
US-20100144698-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD NPC1 3423/4885RAB9A 453/4885TP53 4048/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD NPC1 3423/4885RAB9A 453/4885TP53 4048/4885
US-11059786-B2 Aminopyridine compounds and methods for the preparation and use thereof ENPEP, DNPEP, ANPEP NPC1 4466/4885RAB9A 591/4885TP53 900/4885
US-20210340105-A1 AMINOPYRIDINE COMPOUNDS AND METHODS FOR THE PREPARATION AND USE THEREOF ENPEP, DNPEP, ANPEP NPC1 4466/4885RAB9A 591/4885TP53 900/4885

“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.