SCHEMBL8047574

SCHEMBL8047574

CC1(C)[C@@H]2C(=O)OC(=O)[C@@H]21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.32
CYP3A4 P08684 3/20 0.32
MAPK1 P28482 3/20 0.32
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
RAB9A P51151 3/20 0.32
HIF1A Q16665 2/20 0.32
CYP1A2 P05177 2/20 0.32
NPC1 O15118 2/20 0.32
NFKB1 P19838 2/20 0.32
THPO P40225 2/20 0.32
PPM1B O75688 2/20 0.32
PPP1CC P36873 2/20 0.32
TFPI2 P48307 2/20 0.32
PPP5C P53041 2/20 0.32
PPP1CA P62136 2/20 0.32
KDM4E B2RXH2 2/20 0.32
GMNN O75496 2/20 0.32
PMP22 Q01453 2/20 0.32
TDP1 Q9NUW8 2/20 0.32

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
SCHEMBL3381973 1.00 TP53 (0.32) TP53CYP3A4MAPK1LMNASMN1; SMN2
SCHEMBL13349763 1.00 TP53 (0.32) TP53CYP3A4MAPK1LMNASMN1; SMN2
SCHEMBL2698215 0.86 KDM4E (0.37) TP53LMNASMN1; SMN2RAB9ANFKB1
SCHEMBL12172563 0.75 TP53 (0.48) TP53CYP3A4MAPK1LMNASMN1; SMN2
SCHEMBL18951250 0.75 TP53 (0.48) TP53CYP3A4MAPK1LMNASMN1; SMN2
SCHEMBL19557679 0.75
SCHEMBL18785025 0.75 TP53 (0.48) TP53CYP3A4MAPK1LMNASMN1; SMN2
SCHEMBL10303469 0.75 CACNA1B (0.31)
SCHEMBL5708679 0.73
SCHEMBL16134330 0.73 KDM4E (0.33) TP53LMNASMN1; SMN2RAB9ANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118702614-A Preparation method of chiral azabicyclo ester compound 江西迪赛诺制药有限公司 2024-09-27 CN disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
US-9695149-B2 1,2,6-substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-07-04 US disclosed
US-9682971-B2 1,2,5-Substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US disclosed
US-9682972-B2 1,2,5-substituted benzimidazoles as flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US disclosed
US-20160108028-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-04-21 US disclosed
US-9265770-B2 1,2,5-substituted benzimidazoles as FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2016-02-23 US disclosed
US-20160046600-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS CHAI WENYING (US) 2016-02-18 US disclosed
US-20160039790-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-11 US disclosed
US-20150246052-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-09-03 US disclosed
US-20090240063-A1 Process For The Preparation Of 6,6-Dimethyl-3-Azabicyclo-[3.1.0]-Hexane Compounds ... MERCK SHARP & DOHME CORP. 2009-09-24 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-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
WO-2009073380-A1 DEHYDROHALOGENATION PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN PROVIDING 6,6-DIMETHYL-3-AZABICYCLO-[3.1.0]-HEXANE COMPOUNDS SCHERING CORPORATION (US) 2009-06-11 WO 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-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
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
WO-2007075790-A1 PROCESS FOR THE PREPARATION OF 6, 6-DIMETHYL-3-AZABICYCLO-[3.1.0]-HEXANE COMPOUNDS AND ENANTIOMERIC SALTS THEREOF SCHERING CORPORATION (US) 2007-07-05 WO disclosed
WO-2004016260-A1 THERAPEUTIC USE OF FUSED BICYCLIC OR TRICYCLIC AMINO ACIDS PFIZER LIMITED (GB) 2004-02-26 WO 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 (6 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-20150246052-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS FEN1, FOXM1, CYP3A5 TP53 257/4885CYP3A4 5/4885MAPK1 4196/4885
US-20160039790-A1 1,2,6-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS FEN1, FOXM1, F12 TP53 476/4885CYP3A4 9/4885MAPK1 4083/4885
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 TP53 3240/4885CYP3A4 352/4885MAPK1 763/4885
US-20160046600-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS FEN1, FOXM1, CYP3A5 TP53 257/4885CYP3A4 5/4885MAPK1 4196/4885
US-20160108028-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS FEN1, FOXM1, CYP3A5 TP53 257/4885CYP3A4 5/4885MAPK1 4196/4885
US-20090240063-A1 Process For The Preparation Of 6,6-Dimethyl-3-Azabicyclo-[3.1.0]-Hexane Compounds ... TMT1A, HDHD5, TET1 TP53 2998/4885CYP3A4 1367/4885MAPK1 1263/4885

“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.