SCHEMBL2966871

SCHEMBL2966871

CN1CC2CN(C(=O)OC(C)(C)C)CC2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.60
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
GPR119 Q8TDV5 3/20 0.41
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
HSD11B1 P28845 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
NAMPT P43490 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL31566496 1.00 NR1H2 (0.60) NR1H2USP2SMN1; SMN2HPGDHDAC1
SCHEMBL14325258 1.00 NR1H2 (0.60) NR1H2USP2SMN1; SMN2HPGDHDAC1
SCHEMBL15495236 1.00 NR1H2 (0.60) NR1H2USP2SMN1; SMN2HPGDHDAC1
SCHEMBL16348045 0.93 NR1H2 (0.54) NR1H2USP2SMN1; SMN2HPGDHDAC1
SCHEMBL17518861 0.88 GPR119 (0.49) NR1H2HPGDHDAC1HDAC2GPR119
SCHEMBL15078689 0.88 GPR119 (0.49) NR1H2HPGDHDAC1HDAC2GPR119
SCHEMBL22873431 0.87 NR1H2 (0.48) NR1H2USP2SMN1; SMN2HPGDGPR119
SCHEMBL25269687 0.86 NR1H2 (0.54) NR1H2USP2SMN1; SMN2HPGDGPR119
SCHEMBL23763034 0.86 GPR119 (0.57) USP2SMN1; SMN2HPGDGPR119RECQL
SCHEMBL17518845 0.85 MEN1 (0.51) NR1H2USP2SMN1; SMN2HPGDHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-06-25 US disclosed
CN-112142763-B Pyrazolopyrimidine compound, and preparation method and application thereof 上海医药集团股份有限公司 2024-01-26 CN disclosed
US-10919850-B2 Covalent inhibitors of KRas G12C ARAXES PHARMA LLC (US) 2021-02-16 US disclosed
EP-3174879-B1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2018-07-18 EP disclosed
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-20170137411-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2017-05-18 US disclosed
US-9566283-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
US-9248132-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2016-02-02 US disclosed
US-20150307515-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC (US) 2015-10-29 US disclosed
EP-2389372-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2015-09-09 EP disclosed
US-20120277205-A1 DERIVATIVES OF N-[(1H-PYRAZOL-1-YL)ARYL]-1H-INDOLE OR 1H-INDAZOLE-3-CARBOXAMIDE, PREPARATION THEREOF AND APPLICATIONS THEREOF IN THERAPEUTICS SANOFI (FR) 2012-11-01 US disclosed
US-20120046245-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-02-23 US disclosed
US-20120016122-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-19 US disclosed
US-20120016131-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-19 US disclosed
US-20120010407-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-12 US disclosed
US-20120010407-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-12 US disclosed
US-20120010406-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-12 US disclosed
US-7772221-B2 Diaminopropane derived macrocycles as inhibitors of β amyloid production BRISTOL-MEYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-29 US disclosed
US-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 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 (13 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-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION APP, BACE1, BACE2 NR1H2 1643/4885USP2 3616/4885SMN1; SMN2 442/4885
US-20120010407-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 NR1H2 3129/4885USP2 1382/4885SMN1; SMN2 2763/4885
US-20170137411-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 NR1H2 3129/4885USP2 1382/4885SMN1; SMN2 2763/4885
US-20120016122-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 NR1H2 3129/4885USP2 1382/4885SMN1; SMN2 2763/4885
US-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors LOX, LOXL1, LOXL3 NR1H2 452/4885USP2 628/4885SMN1; SMN2 3383/4885
US-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 NR1H2 3129/4885USP2 1382/4885SMN1; SMN2 2763/4885
US-20120277205-A1 DERIVATIVES OF N-[(1H-PYRAZOL-1-YL)ARYL]-1H-INDOLE OR 1H-INDAZOLE-3-CARBOXAMIDE, PREPARATION THEREOF AND APPLICATIONS THEREOF IN THERAPEUTICS NTRK3, NTRK1, NTRK2 NR1H2 97/4885USP2 4130/4885SMN1; SMN2 3285/4885
US-20120010406-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 NR1H2 3129/4885USP2 1382/4885SMN1; SMN2 2763/4885
US-20120016131-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 NR1H2 3129/4885USP2 1382/4885SMN1; SMN2 2763/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS NR1H2 3774/4885USP2 254/4885SMN1; SMN2 3761/4885
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 NR1H2 3129/4885USP2 1382/4885SMN1; SMN2 2763/4885
US-20150307515-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 NR1H2 3129/4885USP2 1382/4885SMN1; SMN2 2763/4885
US-20120046245-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 NR1H2 3129/4885USP2 1382/4885SMN1; SMN2 2763/4885

“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.