SCHEMBL9909003

SCHEMBL9909003

CC(=O)[C@@H]1C(C(=O)O)C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.35
SLC9A1 P19634 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
FFAR3 O14843 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 2/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 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
SCHEMBL9862392 1.00 APLNR (0.35) APLNRSLC9A1KDM4ECYP1A2CYP2D6
SCHEMBL9862088 1.00 APLNR (0.35) APLNRSLC9A1KDM4ECYP1A2CYP2D6
SCHEMBL359379 1.00 APLNR (0.35) APLNRSLC9A1KDM4ECYP1A2CYP2D6
SCHEMBL9862146 1.00 APLNR (0.35) APLNRSLC9A1KDM4ECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL11138045 0.97 APLNR (0.33) APLNRSLC9A1KDM4ECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL11136901 0.97 APLNR (0.33) APLNRSLC9A1KDM4ECYP1A2CYP2D6
SCHEMBL11260869 0.88 APLNR (0.41) APLNRSLC9A1KDM4ECYP1A2CYP2D6
SCHEMBL5246594 0.88 APLNR (0.41) APLNRSLC9A1KDM4ECYP1A2CYP2D6
SCHEMBL3385056 0.88 APLNR (0.41) APLNRSLC9A1KDM4ECYP1A2CYP2D6
SCHEMBL11802322 0.79 APLNR (0.32) APLNRKDM4ECYP1A2CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198463-B2 Process for the preparation of 6,6-dimethyl-3-azabicyclo-[3.3.0]-hexane compounds and enantiomeric salts thereof SCHERING CORPORATION (US) 2012-06-12 US disclosed
US-8158807-B2 Process for the preparation of 6,6-dimethyl-3-azabicyclo-[3.1.0]-hexane compounds utilizing bisulfite intermediate SCHERING CORPORATION (US) 2012-04-17 US disclosed
US-20100256393-A1 PROCESS FOR THE PREPARATION OF 6,6- DIMETHYL-3-AZABICYCLO-[3.1.0]-HEXANE COMPOUNDS AND ENANTIOMERIC SALTS THEREOF SCHERING CORPORATION (US) 2010-10-07 US disclosed
US-20100145069-A1 PROCESS FOR THE PREPARATION OF 6,6-DIMETHYL-3-AZABICYCLO-[3.1.0]- HEXANE COMPOUNDS UTILIZING BISULFITE INTERMEDIATE SCHERING CORPORATION (US) 2010-06-10 US disclosed
US-7728165-B2 Process and intermediates for the preparation of (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3,1,0]hexane-2-carboxylates or salts thereof SCHERING PLOUGH CORPORATION (US) 2010-06-01 US disclosed
US-20090247784-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF (1R,2S,5S)-6,6-DIMETHYL-3-AZABICYCLO[3,1,0]HEXANE-2-CARBOXYLATES OR SALTS THEREOF PARK JEONGHAN 2009-10-01 US disclosed
US-7569705-B2 Process and intermediates for the preparation of (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3,1,0]hexane-2-carboxylates for salts thereof SCHERING CORPORATION (US) 2009-08-04 US disclosed
US-20080114179-A1 Process and intermediates for the preparation of (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3,1,0]hexane-2-carboxylates for salts thereof MERCK SHARP & DOHME CORP. 2008-05-15 US disclosed
US-7309717-B2 Process and intermediates for the preparation of (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3,1,0]hexane-2-carboxylates or salts thereof SCHERING CORPORATION (US) 2007-12-18 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 (4 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-20100256393-A1 PROCESS FOR THE PREPARATION OF 6,6- DIMETHYL-3-AZABICYCLO-[3.1.0]-HEXANE COMPOUNDS AND ENANTIOMERIC SALTS THEREOF TMT1A, HDHD5, DLST APLNR 4803/4885SLC9A1 1137/4885KDM4E 317/4885
US-20080114179-A1 Process and intermediates for the preparation of (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3,1,0]hexane-2-carboxylates for salts thereof AZI2, MED1, ADH1C APLNR 4252/4885SLC9A1 4205/4885KDM4E 229/4885
US-20090247784-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF (1R,2S,5S)-6,6-DIMETHYL-3-AZABICYCLO[3,1,0]HEXANE-2-CARBOXYLATES OR SALTS THEREOF AZI2, MED1, ALKBH5 APLNR 4158/4885SLC9A1 4237/4885KDM4E 246/4885
US-20100145069-A1 PROCESS FOR THE PREPARATION OF 6,6-DIMETHYL-3-AZABICYCLO-[3.1.0]- HEXANE COMPOUNDS UTILIZING BISULFITE INTERMEDIATE DNMT1, TET2, TET3 APLNR 4253/4885SLC9A1 3231/4885KDM4E 128/4885

“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.