SCHEMBL10119951

SCHEMBL10119951

CC(C)C(=O)N1CC(C(C)C)C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.57
CHRNA3 P32297 1/20 0.57
CHRNA4 P43681 1/20 0.57
CHRNB3 Q05901 1/20 0.57
CHRNA6 Q15825 1/20 0.57
PIK3CD O00329 1/20 0.42
DPP4 P27487 4/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
TBXA2R P21731 1/20 0.30

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
SCHEMBL25146608 0.84 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25146761 0.84 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25146770 0.84 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL23261589 0.84 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL14752168 0.84 CHRNB2 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10119964 0.84 CHRNB2 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19735099 0.84 CHRNB2 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15615861 0.83 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL16999004 0.83 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL18074021 0.83 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 US disclosed
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 US disclosed
US-20240024488-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2024-01-25 US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
WO-2023125708-A1 P38 MAPK/MK2 PATHWAY MODULATOR, COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海美悦生物科技发展有限公司 2023-07-06 WO disclosed
US-20230159580-A1 PYRROLO[2,3-F]INDAZOLE AND 2,4,5,10-TETRAZATRICYCLO[7.3.0.03,7]DODECA-1,3(7),5,8,11-PENTAENE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20220249683-A1 T-CELL DEPLETING THERAPIES HEIDELBERG PHARMA RESEARCH GMBH (DE) 2022-08-11 US disclosed
US-20220177575-A1 ANTI-CD117 ANTIBODIES AND USES THEREOF Magenta Therapeutics, Inc. 2022-06-09 US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
US-20210115018-A1 PIPERIDINE COMPOUNDS AS COVALENT MENIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-04-22 US disclosed
US-20170362240-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2017-12-21 US disclosed
US-20170362240-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2017-12-21 US disclosed
US-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2016-09-08 US disclosed
US-9260439-B2 Dihydropyrrolopyrimidine derivatives PFIZER INC. (US) 2016-02-16 US disclosed
US-20150291604-A1 DIHYDROPYRROLOPYRIMIDINE DERIVATIVES PFIZER (US) 2015-10-15 US disclosed
US-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-05-22 US disclosed
US-8293736-B2 Purine compounds selective for PI3K P110 delta, and methods of use F. HOFFMANN LA ROCHE AG (CH) 2012-10-23 US disclosed
US-8119806-B2 Cicletanine derivatives MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US disclosed
US-20100029678-A1 DIURETICS MERCK SHARP & DOHME CORP. 2010-02-04 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 (14 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-20220177575-A1 ANTI-CD117 ANTIBODIES AND USES THEREOF MYADM, SIGLEC7, ITGB7 CHRNB2 1101/4885CHRNA3 975/4885CHRNA4 1629/4885
US-20100029678-A1 DIURETICS NR3C2, REN, NR3C1 CHRNB2 331/4885CHRNA3 18/4885CHRNA4 92/4885
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R CHRNB2 504/4885CHRNA3 535/4885CHRNA4 714/4885
US-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK CHRNB2 4628/4885CHRNA3 4431/4885CHRNA4 3411/4885
US-20210115018-A1 PIPERIDINE COMPOUNDS AS COVALENT MENIN INHIBITORS MEN1, BRCA1, PRMT1 CHRNB2 1758/4885CHRNA3 2043/4885CHRNA4 2835/4885
US-20170362240-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 CHRNB2 4867/4885CHRNA3 4736/4885CHRNA4 4777/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP CHRNB2 4666/4885CHRNA3 4677/4885CHRNA4 4806/4885
US-20240024488-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB CHRNB2 3146/4885CHRNA3 3649/4885CHRNA4 3801/4885
US-20150291604-A1 DIHYDROPYRROLOPYRIMIDINE DERIVATIVES DPYD, TPD52L2, DTYMK CHRNB2 4873/4885CHRNA3 4876/4885CHRNA4 4871/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP CHRNB2 4666/4885CHRNA3 4677/4885CHRNA4 4806/4885
US-20220249683-A1 T-CELL DEPLETING THERAPIES CD2, CD4, CD22 CHRNB2 2438/4885CHRNA3 1701/4885CHRNA4 2093/4885
US-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK CHRNB2 4628/4885CHRNA3 4431/4885CHRNA4 3411/4885
US-20230159580-A1 PYRROLO[2,3-F]INDAZOLE AND 2,4,5,10-TETRAZATRICYCLO[7.3.0.03,7]DODECA-1,3(7),5,8,11-PENTAENE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINA3, SERPINC1 CHRNB2 2952/4885CHRNA3 2222/4885CHRNA4 3643/4885
US-20120015931-A1 PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG CHRNB2 1834/4885CHRNA3 1144/4885CHRNA4 1427/4885

“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.