SCHEMBL90589

SCHEMBL90589

COc1c(N2CC3(CC3)[C@](C)(N)C2)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.53
CYP3A4 P08684 1/20 0.53
KDM4E B2RXH2 9/20 0.51
HPGD P15428 4/20 0.51
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 2/20 0.51
POLB P06746 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
PRKD3 O94806 1/20 0.51
ALOX15 P16050 1/20 0.51
OPRM1 P35372 1/20 0.51
CLK2 P49760 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 2/20 0.47
TOP1 P11387 3/20 0.45
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL2243024 1.00 KCNH2 (0.53) KCNH2CYP3A4KDM4EHPGDALDH1A1
SCHEMBL739709 1.00 KCNH2 (0.53) KCNH2CYP3A4KDM4EHPGDALDH1A1
SCHEMBL31256774 1.00 KCNH2 (0.53) KCNH2CYP3A4KDM4EHPGDALDH1A1
SCHEMBL4083952 1.00 KCNH2 (0.53) KCNH2CYP3A4KDM4EHPGDALDH1A1
SCHEMBL15090911 1.00 KCNH2 (0.53) KCNH2CYP3A4KDM4EHPGDALDH1A1
SCHEMBL15090909 1.00 KCNH2 (0.53) KCNH2CYP3A4KDM4EHPGDALDH1A1
Hydrochloric Acid SCHEMBL4088987 0.99 KCNH2 (0.52) KCNH2CYP3A4KDM4EHPGDALDH1A1
Water SCHEMBL2244068 0.99 KCNH2 (0.52) KCNH2CYP3A4KDM4EHPGDALDH1A1
Hydrochloric Acid SCHEMBL4088995 0.99 KCNH2 (0.52) KCNH2CYP3A4KDM4EHPGDALDH1A1
Water SCHEMBL2244073 0.99 KCNH2 (0.52) KCNH2CYP3A4KDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1882689-B1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-07-10 EP claimed
US-8211910-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-07-03 US claimed
US-9937192-B2 Combination therapy to treat mycobacterium diseases SPERO TRINEM, INC. (US) 2018-04-10 US disclosed
US-9937192-B2 Combination therapy to treat mycobacterium diseases SPERO TRINEM, INC. (US) 2018-04-10 US disclosed
US-20170128471-A1 COMBINATION THERAPY TO TREAT MYCOBACTERIUM DISEASES SPERO THERAPEUTICS, INC. 2017-05-11 US disclosed
US-20170128471-A1 COMBINATION THERAPY TO TREAT MYCOBACTERIUM DISEASES SPERO THERAPEUTICS, INC. 2017-05-11 US disclosed
US-9572809-B2 Combination therapy to treat Mycobacterium diseases SPERO TRINEM, INC. (US) 2017-02-21 US disclosed
US-9572809-B2 Combination therapy to treat Mycobacterium diseases SPERO TRINEM, INC. (US) 2017-02-21 US disclosed
EP-2000467-B1 HYDRATE FOR MEDICAL PURPOSES DAIICHI SANKYO CO LTD (JP) 2014-10-01 EP disclosed
EP-2000467-B1 HYDRATE FOR MEDICAL PURPOSES DAIICHI SANKYO CO LTD (JP) 2014-10-01 EP disclosed
US-20140045791-A1 COMBINATION THERAPY TO TREAT MYCOBACTERIUM DISEASES SPERO THERAPEUTICS, INC. 2014-02-13 US disclosed
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
EP-2000467-A2 HYDRATE FOR MEDICAL PURPOSES Daiichi Sankyo Company, Limited (JP) 2008-12-10 EP disclosed
EP-2000467-A2 HYDRATE FOR MEDICAL PURPOSES Daiichi Sankyo Company, Limited (JP) 2008-12-10 EP disclosed
US-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-12-04 US disclosed
EP-1930321-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF Daiichi Sankyo Company, Limited (JP) 2008-06-11 EP disclosed
EP-1882685-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-01-30 EP disclosed
EP-1882689-A1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2008-01-30 EP disclosed
WO-2007111023-A1 HYDRATE FOR MEDICAL PURPOSES DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-10-04 WO disclosed
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-23 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 (5 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-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation NQO2, TREH, CYP51A1 KCNH2 2623/4885CYP3A4 314/4885KDM4E 2681/4885
US-20170128471-A1 COMBINATION THERAPY TO TREAT MYCOBACTERIUM DISEASES TOP1, TOP2A, TOP2B KCNH2 4056/4885CYP3A4 239/4885KDM4E 2466/4885
US-20140045791-A1 COMBINATION THERAPY TO TREAT MYCOBACTERIUM DISEASES TOP1, TOP2A, TOP2B KCNH2 4056/4885CYP3A4 239/4885KDM4E 2466/4885
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative QTRT1, RRS1, LAS1L KCNH2 1399/4885CYP3A4 871/4885KDM4E 2926/4885
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, ARL1, NQO2 KCNH2 670/4885CYP3A4 133/4885KDM4E 2873/4885

“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.