SCHEMBL741147

SCHEMBL741147

CC(C)(C)OC(=O)C1(N)CCCCC1N

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
KDM1A O60341 1/20 0.32
EPHX1 P07099 2/20 0.31
ABCB11 O95342 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CYP3A4 P08684 1/20 0.30
CHRM5 P08912 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CHRM3 P20309 1/20 0.30
DRD1 P21728 1/20 0.30
HRH2 P25021 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HRH1 P35367 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
SCHEMBL8796961 1.00 GAA (0.32) GAAKDM1AEPHX1ABCB11LMNA
SCHEMBL17419373 1.00 GAA (0.32) GAAKDM1AEPHX1ABCB11LMNA
SCHEMBL3892591 0.95 KDM1A (0.32) KDM1ACHRM2CHRM1CHRM3
SCHEMBL2557560 0.81 BTK (0.37) GAAEPHX1LMNACYP1A2TSHR
SCHEMBL12987536 0.81 BTK (0.37) GAAEPHX1LMNACYP1A2TSHR
SCHEMBL27558383 0.80 GAA (0.32) GAAKDM1AEPHX1
SCHEMBL741182 0.80 GAA (0.33) GAAEPHX1
SCHEMBL15142587 0.79 CHRM2 (0.32) KDM1ACHRM2CHRM1CHRM3
SCHEMBL27555433 0.78 MAPK1 (0.31) CHRM2CHRM1CHRM3
SCHEMBL12987233 0.78 BTK (0.31) GAAKDM1AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-7683078-B2 Arylsulfonamide derivatives as C-Jun-N-Terminal Kinases (JNK's) inhibitors LABORATOIRES SERONO S.A. (CH) 2010-03-23 US disclosed
US-20100029719-A1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS LABORATOIRES SERONO S.A. (CH) 2010-02-04 US disclosed
US-7572813-B2 Cyclic amide derivative as monocyte chemotactic protein modulator; prevention and treatment of rheumatoid arthritis, multiple sclerosis, atherosclerosis and asthma; antiinflammatory agents; N-[2-[[(cis) -2-[[1- (4-Chlorophenyl)ethyl]amino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
EP-1317443-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-01-14 EP disclosed
EP-1409483-B1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS SERONO LAB (CH) 2008-12-31 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
EP-1317443-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-02 US disclosed
US-20020147192-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2002-10-10 US disclosed
WO-2002060859-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 WO disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 WO disclosed
WO-2002022599-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 WO disclosed
WO-2000002864-A1 PRECUSORS FOR PNA-MONOMERS MARTENS JUERGEN (DE) 2000-01-20 WO disclosed
EP-0756495-A1 DIAGNOSTIC IMAGE ANALYSIS WITH METAL COMPLEXES MONSANTO COMPANY (US) 1997-02-05 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 (4 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-20020147192-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 GAA 4757/4885KDM1A 4840/4885EPHX1 746/4885
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 GAA 4566/4885KDM1A 4037/4885EPHX1 1325/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 GAA 4680/4885KDM1A 4851/4885EPHX1 467/4885
US-20100029719-A1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS MAPK1, MAPK3, MAP3K2 GAA 4611/4885KDM1A 2208/4885EPHX1 3428/4885

“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.