SCHEMBL6958823

SCHEMBL6958823

COc1c(N2CC[C@@H](C3(N)CC3)C2)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.74
KCNH2 Q12809 3/20 0.61
KDM4E B2RXH2 8/20 0.57
HPGD P15428 4/20 0.57
ALDH1A1 P00352 4/20 0.57
HSD17B10 Q99714 2/20 0.57
POLB P06746 2/20 0.57
OPRM1 P35372 2/20 0.57
PRKD3 O94806 1/20 0.57
ALOX15 P16050 1/20 0.57
CLK2 P49760 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 1/20 0.52
TOP1 P11387 5/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CHRM2 P08172 1/20 0.49

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
SCHEMBL5236833 0.94 CYP3A4 (0.65) CYP3A4KCNH2KDM4EHPGDALDH1A1
SCHEMBL5236827 0.94 CYP3A4 (0.65) CYP3A4KCNH2KDM4EHPGDALDH1A1
SCHEMBL5235529 0.93 CYP3A4 (0.65) CYP3A4KCNH2KDM4EHPGDALDH1A1
SCHEMBL5235526 0.93 CYP3A4 (0.65) CYP3A4KCNH2KDM4EHPGDALDH1A1
SCHEMBL6959267 0.90 CYP3A4 (0.63) CYP3A4KCNH2KDM4EHPGDALDH1A1
SCHEMBL6959271 0.90 CYP3A4 (0.63) CYP3A4KCNH2KDM4EHPGDALDH1A1
Hydrochloric Acid SCHEMBL6505726 0.90 KCNH2 (0.72) CYP3A4KCNH2KDM4EHPGDALDH1A1
SCHEMBL2080667 0.90 CYP3A4 (0.64) CYP3A4KCNH2KDM4EHPGDALDH1A1
SCHEMBL2080669 0.90 CYP3A4 (0.64) CYP3A4KCNH2KDM4EHPGDALDH1A1
SCHEMBL2670379 0.89 CYP3A4 (0.61) CYP3A4KCNH2KDM4EHPGDALDH1A1

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-7994344-B2 Intermediates for the production of optically active cyclopropylamine derivatives and process for the production of the intermediates DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-7994344-B2 Intermediates for the production of optically active cyclopropylamine derivatives and process for the production of the intermediates DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-20090240066-A1 INTERMEDIATES FOR THE PRODUCTION OF OPTICALLY ACTIVE CYCLOPROPYLAMINE DERIVATIVES AND PROCESS FOR THE PRODUCTION OF THE INTERMEDIATES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-24 US disclosed
US-7569599-B2 Intermediates for the production of optically active cyclopropylamine derivatives and process for the production of the intermediates DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-7569599-B2 Intermediates for the production of optically active cyclopropylamine derivatives and process for the production of the intermediates DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-20070117988-A1 Intermediates for the production of optically active cyclopropylamine derivatives and process for the production of the intermediates DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-05-24 US disclosed
US-20070117988-A1 Intermediates for the production of optically active cyclopropylamine derivatives and process for the production of the intermediates DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-05-24 US disclosed
EP-1304329-A2 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-23 EP disclosed
US-5849757-A Pyridonecarboxylic acid derivatives substituted by a bicyclic amino group as antibacterials DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed
EP-0807630-A1 HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 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 (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-20070117988-A1 Intermediates for the production of optically active cyclopropylamine derivatives and process for the production of the intermediates RAP1A, RHOA, MGMT CYP3A4 59/4885KCNH2 561/4885KDM4E 820/4885
US-20090240066-A1 INTERMEDIATES FOR THE PRODUCTION OF OPTICALLY ACTIVE CYCLOPROPYLAMINE DERIVATIVES AND PROCESS FOR THE PRODUCTION OF THE INTERMEDIATES RAP1A, RHOA, MGMT CYP3A4 59/4885KCNH2 561/4885KDM4E 820/4885

“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.