SCHEMBL2840739

SCHEMBL2840739

c1ccc(CN2CCC(NC3CC3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.70
BACE1 P56817 7/20 0.70
BCHE P06276 5/20 0.70
CXCR3 P49682 2/20 0.68
SIGMAR1 Q99720 3/20 0.62
CCR3 P51677 1/20 0.61
KMT2A Q03164 3/20 0.60
MEN1 O00255 1/20 0.60
KDM4E B2RXH2 1/20 0.60
GAA P10253 1/20 0.60
DRD4 P21917 3/20 0.57
DRD2 P14416 2/20 0.57
DRD3 P35462 2/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPK1 P28482 1/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
HTR2B P41595 1/20 0.57
CXCR4 P61073 1/20 0.57

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
SCHEMBL8408423 0.93 ACHE (0.66) ACHEBACE1BCHECXCR3SIGMAR1
SCHEMBL8805002 0.91 ACHE (0.64) ACHEBACE1BCHECXCR3SIGMAR1
SCHEMBL7424698 0.91 ACHE (0.64) ACHEBACE1BCHECXCR3SIGMAR1
SCHEMBL34474661 0.91 BCHE (0.69) ACHEBACE1BCHECXCR3SIGMAR1
SCHEMBL3316924 0.90 MC4R (0.64) ACHEBACE1BCHECXCR3SIGMAR1
SCHEMBL12218291 0.89 ACHE (0.57) ACHEBACE1BCHECXCR3SIGMAR1
SCHEMBL3122690 0.89 ACHE (0.60) ACHEBACE1BCHECXCR3SIGMAR1
SCHEMBL2093769 0.85 ACHE (0.56) ACHEBACE1BCHECXCR3SIGMAR1
SCHEMBL25104895 0.84 BCHE (0.64) ACHEBACE1BCHECXCR3GAA
SCHEMBL360075 0.84 ACHE (0.68) ACHEBACE1BCHECXCR3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2679586-B1 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO CO LTD (JP) 2016-02-10 EP disclosed
US-9156817-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-13 US disclosed
US-9139559-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-22 US disclosed
CN-103396399-B Nitrogenated aromatic 6-membered ring derivative, and pharmaceutical agent comprising same DAIICHI SANKYO CO LTD 2015-04-29 CN disclosed
US-9000174-B2 4-phenylsulfonamidopiperidines as calcium channel blockers PURDUE PHARMA L.P. (US) 2015-04-07 US disclosed
US-9000174-B2 4-phenylsulfonamidopiperidines as calcium channel blockers PURDUE PHARMA L.P. (US) 2015-04-07 US disclosed
US-9000174-B2 4-phenylsulfonamidopiperidines as calcium channel blockers PURDUE PHARMA L.P. (US) 2015-04-07 US disclosed
US-8937181-B2 Benzenesulfonamide compounds and the use thereof PURDUE PHARMA L.P. (US) 2015-01-20 US disclosed
US-20140336209-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO CO LTD (JP) 2014-11-13 US disclosed
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 US disclosed
US-20090105249-A1 4-phenylsulfonamidopiperidines as calcium channel blockers EURO-CELTIQUE S.A. (LU) 2009-04-23 US disclosed
US-20090105249-A1 4-phenylsulfonamidopiperidines as calcium channel blockers EURO-CELTIQUE S.A. (LU) 2009-04-23 US disclosed
WO-2007118853-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS BLOCKERS OF CALCIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2007-10-25 WO disclosed
WO-2007118853-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS BLOCKERS OF CALCIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2007-10-25 WO disclosed
WO-2007118854-A1 BENZENESULFONAMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2007-10-25 WO disclosed
EP-1814851-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2007-08-08 EP disclosed
WO-2006040181-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2006-04-20 WO disclosed
US-20040110952-A1 N-4-piperidinyl compounds as ccr5 modulators ASTRAZENECA AB (SE) 2004-06-10 US disclosed
EP-1368314-A1 N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS AstraZeneca AB (SE) 2003-12-10 EP disclosed
WO-2002070479-A1 N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS ASTRAZENECA AB (SE) 2002-09-12 WO 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-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 ACHE 1273/4885BACE1 1096/4885BCHE 3406/4885
US-20040110952-A1 N-4-piperidinyl compounds as ccr5 modulators CCR5, CCL5, CCR2 ACHE 3893/4885BACE1 2615/4885BCHE 4437/4885
US-20140336209-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 ACHE 1273/4885BACE1 1096/4885BCHE 3406/4885
US-20090105249-A1 4-phenylsulfonamidopiperidines as calcium channel blockers CACNA1A, CACNA1E, CACNA1B ACHE 601/4885BACE1 1043/4885BCHE 2660/4885

“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.