SCHEMBL3577931

SCHEMBL3577931

CCc1cc(C(=O)O)c(F)c(OC)c1N1CC[C@@H](C2(NC(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 1/20 0.33
SCN5A Q14524 1/20 0.33
CYP3A4 P08684 1/20 0.32
TOP1 P11387 5/20 0.32
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PRKD3 O94806 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
OPRM1 P35372 1/20 0.31
CLK2 P49760 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LIPC P11150 1/20 0.30
LIPG Q9Y5X9 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
SCHEMBL3575973 0.82 CYP3A4 (0.42) KCNH2DRD2CYP3A4LIPCLIPG
SCHEMBL3590136 0.78 CYP3A4 (0.35) DRD2DRD3CYP3A4KDM4EALDH1A1
SCHEMBL3578342 0.78 MEN1 (0.35) DRD2DRD3POLBKDM4EALDH1A1
SCHEMBL3582142 0.78 CYP3A4 (0.37) KCNH2DRD2DRD3CYP3A4LIPC
SCHEMBL20549812 0.73 KCNH2 (0.48) KCNH2SCN5APOLBKDM4EALDH1A1
SCHEMBL17494347 0.71 SCN5A (0.69) KCNH2SCN5A
SCHEMBL20549374 0.71 SCN5A (0.50) KCNH2SCN5APOLBKDM4EPRKD3
SCHEMBL20549384 0.70 KCNH2 (0.51) KCNH2SCN5APOLBKDM4EALDH1A1
SCHEMBL20549424 0.70 SCN5A (0.49) KCNH2SCN5AKDM4EALDH1A1HPGD
SCHEMBL20549490 0.69 KCNH2 (0.49) KCNH2SCN5APOLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069435-A1 METHOD OF SELECTIVELY INTRODUCING AMINO SUBSTITUENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-03-18 US disclosed
US-7626029-B2 Into a difluorobenzoic acid, for producting quinolonecarboxylic acid serving as synthetic antibacterial agent, medicament, agricultural chemical, or veterinary drug; ionic liquid solvents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-12-01 US disclosed
US-20060122396-A1 Method of selectively introducing amino substituent DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-06-08 US disclosed
EP-1634879-A1 METHOD OF SELECTIVELY INTRODUCING AMINO SUBSTITUENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-03-15 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-20060122396-A1 Method of selectively introducing amino substituent ASNS, NQO2, DDC KCNH2 2642/4885DRD2 1605/4885DRD3 2221/4885
US-20100069435-A1 METHOD OF SELECTIVELY INTRODUCING AMINO SUBSTITUENT ASNS, DDC, NQO2 KCNH2 2726/4885DRD2 1982/4885DRD3 2052/4885

“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.