SCHEMBL3351581

SCHEMBL3351581

CC(C)(C)OC(=O)NC1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.60
PRKAA2 P54646 1/20 0.58
MCHR1 Q99705 4/20 0.57
SLC6A12 P48065 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
PARP1 P09874 1/20 0.56
PARP2 Q9UGN5 1/20 0.56
DRD3 P35462 2/20 0.56
CHRM4 P08173 1/20 0.55
CCR3 P51677 1/20 0.53
UBE2M P61081 1/20 0.53
DCUN1D1 Q96GG9 1/20 0.53
KCNA3 P22001 1/20 0.52
CYP2D6 P10635 1/20 0.52
CHRM1 P11229 1/20 0.52
HTR2A P28223 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL4231721 0.93 DRD2 (0.55) SIGMAR1PRKAA2MCHR1SLC6A12TMEM97
SCHEMBL2030049 0.93 DRD2 (0.55) SIGMAR1PRKAA2MCHR1SLC6A12TMEM97
SCHEMBL27226915 0.89 SIGMAR1 (0.59) SIGMAR1PARP1PARP2DRD3KCNA3
SCHEMBL29260128 0.89 KCNA3 (0.53) SIGMAR1PARP1PARP2DRD3KCNA3
SCHEMBL15021069 0.89 SIGMAR1 (0.59) SIGMAR1PARP1PARP2KCNA3
SCHEMBL22719510 0.88 TEAD1 (0.65) SIGMAR1PARP1PARP2UBE2MDCUN1D1
SCHEMBL1920827 0.88 SIGMAR1 (0.56) SIGMAR1MCHR1SLC6A12TMEM97PARP1
SCHEMBL30135707 0.88 KCNA3 (0.52) SIGMAR1PARP1PARP2DRD3KCNA3
SCHEMBL15021685 0.88 SIGMAR1 (0.60) SIGMAR1TMEM97PARP1PARP2KCNA3
SCHEMBL915402 0.88 KMT2A (0.65) SIGMAR1MCHR1DRD3KCNA3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250339444-A1 Methods and Compositions for Treating Fatty Liver and Viral Infections UNIV LELAND STANFORD JUNIOR (US) 2025-11-06 US disclosed
EP-4525853-A1 METHODS AND COMPOSITIONS FOR TREATING FATTY LIVER AND VIRAL INFECTIONS The Board of Trustees of the Leland Stanford Junior University (US) 2025-03-26 EP disclosed
WO-2023225324-A1 METHODS AND COMPOSITIONS FOR TREATING FATTY LIVER AND VIRAL INFECTIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-11-23 WO disclosed
WO-2023225324-A1 METHODS AND COMPOSITIONS FOR TREATING FATTY LIVER AND VIRAL INFECTIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-11-23 WO disclosed
CN-110938064-B N-substituted piperidine amide derivative and use thereof 广东东阳光药业有限公司 2022-12-27 CN disclosed
EP-1622914-B1 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS TROVIS PHARMACEUTICALS LLC (US) 2011-06-01 EP disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 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 (2 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 SIGMAR1 452/4885PRKAA2 4845/4885MCHR1 201/4885
US-20250339444-A1 Methods and Compositions for Treating Fatty Liver and Viral Infections FABP1, FABP4, LIPC SIGMAR1 4621/4885PRKAA2 1977/4885MCHR1 4741/4885

“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.