SCHEMBL12453031

SCHEMBL12453031

Cc1nsc(N2CCCCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.48
ALDH1A1 P00352 4/20 0.43
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
GAA P10253 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
TP53 P04637 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CHRM3 P20309 3/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
AR P10275 1/20 0.35
ALOX15 P16050 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL13817550 0.82 DPP4 (0.43) DPP4ALDH1A1ABCB1ABCG2SMN1; SMN2
SCHEMBL14182486 0.82 DPP4 (0.44) DPP4ALDH1A1ABCB1ABCG2GAA
SCHEMBL3150091 0.80 DPP4 (0.42) DPP4SMN1; SMN2
SCHEMBL13035720 0.79 SMN1; SMN2 (0.46) DPP4ALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL1713675 0.79 DPP4 (0.41) DPP4ALDH1A1ABCB1ABCG2SMN1; SMN2
SCHEMBL2273553 0.77 DPP4 (0.40) DPP4ALDH1A1ABCB1ABCG2MAPK1
Hydrochloric Acid SCHEMBL2275641 0.76 DPP4 (0.40) DPP4ALDH1A1ABCB1ABCG2MAPK1
SCHEMBL12019703 0.75 ALDH1A1 (0.38) DPP4ALDH1A1GAAHSD17B10MAPK1
SCHEMBL14213173 0.75 ALDH1A1 (0.38) DPP4ALDH1A1GAAHSD17B10MAPK1
SCHEMBL23083016 0.75 DPP4 (0.50) DPP4ALDH1A1GAAHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2814822-B1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-04-20 EP claimed
WO-2013120921-A9 NOVEL PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-10-08 WO claimed
EP-2814822-A1 NOVEL PYRROLIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-12-24 EP claimed
US-8802665-B2 Pyrrolidine derivatives GENENTECH, INC. (US) 2014-08-12 US claimed
US-20130217665-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-08-22 US claimed
WO-2013120921-A1 NOVEL PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-08-22 WO claimed
EP-2814822-B1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-04-20 EP disclosed
WO-2013120921-A9 NOVEL PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-10-08 WO disclosed
EP-2814822-A1 NOVEL PYRROLIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-12-24 EP disclosed
US-8802665-B2 Pyrrolidine derivatives GENENTECH, INC. (US) 2014-08-12 US disclosed
US-20130217665-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-08-22 US disclosed
WO-2013120921-A1 NOVEL PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-08-22 WO disclosed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 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 (1 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-20130217665-A1 NOVEL PYRROLIDINE DERIVATIVES PYCR1, ADCYAP1R1, AVPR1A DPP4 2541/4885ALDH1A1 121/4885ABCB1 160/4885

“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.