SCHEMBL7685622

SCHEMBL7685622

CC(C)(C)OC(=O)N1CCC[C@H](CCBr)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
GLS O94925 2/20 0.50
BACE1 P56817 2/20 0.48
CTSD P07339 1/20 0.48
HPGD P15428 1/20 0.47
FPR2 P25090 2/20 0.46
FPR3 P25089 1/20 0.46
CYP2C9 P11712 1/20 0.46
ACKR3 P25106 1/20 0.46
NR1H2 P55055 1/20 0.44
KDM1A O60341 1/20 0.44
FEN1 P39748 1/20 0.44
SCN9A Q15858 1/20 0.44
EPHX1 P07099 1/20 0.42
KAT7 O95251 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
PREP P48147 1/20 0.40

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
SCHEMBL758457 1.00 MEN1 (0.52) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL7691100 1.00 MEN1 (0.52) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL7686514 0.92 GLS (0.51) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL7686804 0.92 GLS (0.51) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL6959152 0.92 GLS (0.51) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL3247525 0.91 NR1H2 (0.47) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL14921079 0.91 NR1H2 (0.47) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL7692869 0.89 GLS (0.49) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL1978233 0.88 MEN1 (0.54) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL376819 0.88 MEN1 (0.54) MEN1ALDH1A1MAPTKMT2AGLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 US disclosed
US-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 US disclosed
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 US disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 US disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 US disclosed
WO-2007134298-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INC. (US) 2007-11-22 WO disclosed
US-20020007071-A1 Benzimidzolyl neuropeptide Y receptor antagonists BRITTON THOMAS CHARLES (US) 2002-01-17 US disclosed
US-6255494-B1 SUBSTITUTED BENZIMIDAZOLES USEFUL IN TREATING OR PREVENTING CONDITIONS ASSOCIATED WITH EXCESS OF NEUROPEPTIDE Y (AROUND ARTERIES IN HEART, RESPIRATORY TRACT, GASTROINTESTINAL TRACT AND GENITOURINARY TRACT); ETIOLOGY OF PSYCHIATRIC DISORDERS ELI LILLY AND COMPANY 2001-07-03 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 (3 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-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 MEN1 1604/4885ALDH1A1 201/4885MAPT 2528/4885
US-20020007071-A1 Benzimidzolyl neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY5R MEN1 815/4885ALDH1A1 4251/4885MAPT 3175/4885
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 MEN1 1604/4885ALDH1A1 201/4885MAPT 2528/4885

“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.