SCHEMBL1584792

SCHEMBL1584792

COC(=O)C[C@@H]1CCCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.40
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
CYP2D6 P10635 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
MLNR O43193 1/20 0.35
ABCB11 O95342 1/20 0.35
EGFR P00533 1/20 0.35
FYN P06241 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL3669595 1.00 FDPS (0.40) FDPSCHRNB4CHRNA3DRD2DRD3
SCHEMBL642961 1.00 FDPS (0.40) FDPSCHRNB4CHRNA3DRD2DRD3
Hydrochloric Acid SCHEMBL3669594 0.98 FDPS (0.39) FDPSCHRNB4CHRNA3DRD2DRD3
Hydrochloric Acid SCHEMBL617456 0.98 FDPS (0.39) FDPSCHRNB4CHRNA3DRD2DRD3
Hydrochloric Acid SCHEMBL617457 0.98 FDPS (0.39) FDPSCHRNB4CHRNA3DRD2DRD3
SCHEMBL19987369 0.94 FDPS (0.46) FDPSCYP2D6MEN1ALDH1A1LMNA
SCHEMBL12481120 0.94 FDPS (0.46) FDPSCYP2D6MEN1ALDH1A1LMNA
SCHEMBL645913 0.94 FDPS (0.46) FDPSCYP2D6MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL645912 0.93 FDPS (0.45) FDPSCYP2D6MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7301628 0.93 FDPS (0.45) FDPSCYP2D6MEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216513-A1 FATTY ACID-BIFUNCTIONAL DEGRADER CONJUGATES AND THEIR METHODS OF USE NOVARTIS AG (CH) 2024-07-04 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
EP-3255047-B1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND USES IN TREATING DISORDERS DANA FARBER CANCER INST INC (US) 2021-06-30 EP disclosed
WO-2018011162-A1 CARBOXY 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2018-01-18 WO disclosed
US-20170260208-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-09-14 US disclosed
US-20170260208-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-09-14 US disclosed
US-9701683-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-07-11 US disclosed
US-9701683-B2 Pyrimido-diazepinone kinase scaffold compounds and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-07-11 US disclosed
CN-104662015-B Complement pathway modulators and uses thereof 诺华股份有限公司 2017-03-29 CN disclosed
US-7683056-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2010-03-23 US disclosed
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-26 US disclosed
WO-2009079007-A1 STEM-LIKE CELLS AND METHOD FOR REPROGRAMMING ADULT MAMMALIAN SOMATIC CELLS GLIAMED, INC. (US) 2009-06-25 WO disclosed
WO-2009067547-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 WO disclosed
US-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders KaNDy Therapeutics Limited (GB) 2008-10-30 US disclosed
US-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders KaNDy Therapeutics Limited (GB) 2008-10-30 US disclosed
US-20080145335-A1 Analogs of Glycyl-Prolyl-Glutamate NEUREN PHARMACEUTICALS LIMITED (NZ) 2008-06-19 US disclosed
US-20070276142-A1 Catalytic Asymmetric Synthesis of Optically Active Alpha-Halo-Carbonyl Compounds CHEMINOVA A/S (DK) 2007-11-29 US disclosed
WO-2007028654-A1 PYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO disclosed
EP-1479373-B1 Hair growth compositions and uses GUILFORD PHARM INC (US) 2007-01-10 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 (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-20070276142-A1 Catalytic Asymmetric Synthesis of Optically Active Alpha-Halo-Carbonyl Compounds CBR1, CBR3, HAO1 FDPS 240/4885CHRNB4 2410/4885CHRNA3 1812/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS FDPS 2178/4885CHRNB4 282/4885CHRNA3 353/4885
US-20240216513-A1 FATTY ACID-BIFUNCTIONAL DEGRADER CONJUGATES AND THEIR METHODS OF USE FASN, FABP1, SCD FDPS 278/4885CHRNB4 4825/4885CHRNA3 4771/4885
US-20080145335-A1 Analogs of Glycyl-Prolyl-Glutamate GLS, GLUL, HIF1A FDPS 3303/4885CHRNB4 1669/4885CHRNA3 1821/4885
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK FDPS 2640/4885CHRNB4 4495/4885CHRNA3 4587/4885
US-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders SLC6A3, NDUFS5, NDUFB6 FDPS 683/4885CHRNB4 361/4885CHRNA3 145/4885
US-20170260208-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 FDPS 4564/4885CHRNB4 3133/4885CHRNA3 2353/4885

“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.