SCHEMBL1713675

SCHEMBL1713675

Cc1nsc(N2CCC(=O)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.41
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
CHRM3 P20309 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNJ1 P48048 1/20 0.32
KCNH2 Q12809 1/20 0.32
PARG Q86W56 1/20 0.30
FAAH O00519 2/20 0.30
PIK3CD O00329 2/20 0.30
PIK3CA P42336 2/20 0.30
PIK3CB P42338 2/20 0.30
PIK3CG P48736 2/20 0.30
ALDH1A1 P00352 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 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
SCHEMBL2981406 0.77 DPP4 (0.44) DPP4SMN1; SMN2
SCHEMBL13817550 0.77 DPP4 (0.43) DPP4ABCB1ABCG2SMN1; SMN2ALDH1A1
SCHEMBL14182486 0.77 DPP4 (0.44) DPP4ABCB1ABCG2CHRM3PDE4A
SCHEMBL3150091 0.76 DPP4 (0.42) DPP4SMN1; SMN2
SCHEMBL13035720 0.74 SMN1; SMN2 (0.46) DPP4SMN1; SMN2ALDH1A1
SCHEMBL2273553 0.73 DPP4 (0.40) DPP4ABCB1ABCG2SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL2275641 0.71 DPP4 (0.40) DPP4ABCB1ABCG2SMN1; SMN2ALDH1A1
SCHEMBL13817549 0.70 DPP4 (0.50) DPP4FAAH
SCHEMBL12988374 0.70 DPP4 (0.39) DPP4ABCB1ABCG2JAK2JAK1
SCHEMBL2277459 0.69 ALDH1A1 (0.39) DPP4ABCB1ABCG2SMN1; SMN2KCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
CN-103025724-A Piperidine derivatives HOFFMANN LA ROCHE 2013-04-03 CN disclosed
US-8367691-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-02-05 US disclosed
US-8367691-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-02-05 US disclosed
US-8367691-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-02-05 US disclosed
EP-2536710-A2 PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP disclosed
US-8263605-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-11 US disclosed
US-20080176843-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-07-24 US disclosed
US-20080176843-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-07-24 US disclosed
US-20080176843-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-07-24 US disclosed
WO-2008021375-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-02-21 WO disclosed
WO-2008021375-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-02-21 WO disclosed
WO-2007100670-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 WO disclosed
WO-2007100670-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 WO disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 US disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 US disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 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 (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-20080176843-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 DPP4 1478/4885ABCB1 1744/4885ABCG2 1461/4885
US-20070043023-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 DPP4 1478/4885ABCB1 1744/4885ABCG2 1461/4885

“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.