SCHEMBL6631486

SCHEMBL6631486

CC(=O)N1CCC(C)C(C)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.40
CHRNB2 P17787 3/20 0.40
CHRNA3 P32297 3/20 0.40
CHRNA4 P43681 3/20 0.40
EPHX1 P07099 1/20 0.40
CHRNB3 Q05901 1/20 0.40
CHRNA6 Q15825 1/20 0.40
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRNB4 P30926 2/20 0.39
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
CHRNA7 P36544 1/20 0.36
QDPR P09417 1/20 0.36

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
SCHEMBL17643421 1.00 EPHX2 (0.40) EPHX2CHRNB2CHRNA3CHRNA4EPHX1
SCHEMBL21325280 0.88 CYP1A2 (0.50) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL22849809 0.87 ALDH1A1 (0.42) EPHX2CHRNB2CHRNA3CHRNA4EPHX1
SCHEMBL18557206 0.87 ALDH1A1 (0.42) EPHX2CHRNB2CHRNA3CHRNA4EPHX1
SCHEMBL6631511 0.83 CHRNB2 (0.54) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15431463 0.83 EPHX2 (0.38) EPHX2CHRNB2CHRNA3CHRNA4EPHX1
SCHEMBL16727358 0.83 EPHX2 (0.38) EPHX2CHRNB2CHRNA3CHRNA4EPHX1
SCHEMBL14034733 0.82 ALDH1A1 (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL23624210 0.81 EPHX2 (0.37) EPHX2CHRNB2CHRNA3CHRNA4EPHX1
SCHEMBL16169058 0.81 EPHX2 (0.37) EPHX2CHRNB2CHRNA3CHRNA4EPHX1

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-3760632-B1 PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF Simcere pharmaceutical co ltd (CN) 2023-07-19 EP disclosed
WO-2023116934-A1 KRASG12D PROTEIN HYDROLYSIS REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州泽璟生物制药股份有限公司 2023-06-29 WO disclosed
US-11678659-B2 Use as rodenticides of compounds that inhibit blood coagulation GULBA DIETRICH (DE) 2023-06-20 US disclosed
US-11464780-B2 Pyrazolopyrimidine derivative and use thereof SIMCERE PHARMACEUTICAL CO. LTD. (CN) 2022-10-11 US disclosed
WO-2022188819-A1 SOS1 PROTEOLYSIS MODULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 苏州泽璟生物制药股份有限公司 2022-09-15 WO disclosed
EP-3230281-B1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AG (DE) 2021-05-26 EP disclosed
EP-3760632-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF Medshine Discovery Inc. (CN) 2021-01-06 EP disclosed
US-20200405725-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2020-12-31 US disclosed
WO-2020207352-A1 TRIAZINE BENZIMIDAZOLE COMPOUNDS AND MEDICAL USE THEREOF 四川科伦博泰生物医药股份有限公司 2020-10-15 WO disclosed
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl Grünenthal GmbH (DE) 2019-04-23 US disclosed
US-8883828-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC. (US) 2014-11-11 US disclosed
US-20130065901-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2013-03-14 US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011150356-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
US-8022223-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 US disclosed
US-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPPHARMA INC. (US) 2010-04-29 US disclosed
US-20090156603-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-06-18 US disclosed
EP-0974602-B1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR CORP (JP) 2004-01-02 EP disclosed
US-6291596-B1 CONTACTING OLEFINICALLY UNSATURATED COMPOUND WITH HYDROGEN IN THE PRESENCE OF A HYDROGENATION CATALYST COMPRISING TITANIUM OR ZIRCONIUM OR HAFNIUM COMPOUND IN AN INERT, ORGANIC SOLVENT JSR CORPORATION (JP) 2001-09-18 US disclosed
EP-0974602-A1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR Corporation (JP) 2000-01-26 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 (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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 EPHX2 2695/4885CHRNB2 4866/4885CHRNA3 4875/4885
US-20200405725-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF TPMT, VHL, GOT2 EPHX2 3789/4885CHRNB2 4840/4885CHRNA3 4870/4885
US-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 EPHX2 4564/4885CHRNB2 2910/4885CHRNA3 3044/4885
US-11678659-B2 Use as rodenticides of compounds that inhibit blood coagulation PLAT, F2R, PLAUR EPHX2 1101/4885CHRNB2 1038/4885CHRNA3 875/4885
US-20090156603-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, PRKCSH EPHX2 4703/4885CHRNB2 2322/4885CHRNA3 2702/4885
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl FPR2, FPR1, FPR3 EPHX2 693/4885CHRNB2 1047/4885CHRNA3 2456/4885
US-20130065901-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 EPHX2 4564/4885CHRNB2 2910/4885CHRNA3 3044/4885
US-11464780-B2 Pyrazolopyrimidine derivative and use thereof TPMT, VHL, GOT2 EPHX2 3789/4885CHRNB2 4840/4885CHRNA3 4870/4885

“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.