SCHEMBL13899417

SCHEMBL13899417

Cn1nc(-c2ccc(C(F)(F)F)cc2)nc1COCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.46
TDP2 O95551 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
AR P10275 2/20 0.42
PDE10A Q9Y233 1/20 0.42
GHSR Q92847 1/20 0.41
CXCR2 P25025 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
TP53 P04637 1/20 0.38
AOC3 Q16853 2/20 0.38
DPP4 P27487 1/20 0.38
KIF11 P52732 1/20 0.37
TACR1 P25103 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
MDM2 Q00987 1/20 0.37

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
SCHEMBL13899292 0.86 ADORA3 (0.43) CTSSADORA3ARGHSRCXCR2
SCHEMBL13899118 0.82 PPARA (0.52) PPARDPPARA
SCHEMBL13905124 0.81 ADORA3 (0.45) CTSSTDP2ADORA3AOC3
SCHEMBL17803244 0.78 SIGMAR1 (0.55) CTSSARGHSRAOC3TRPV1
SCHEMBL13899117 0.77 TDP2 (0.51) CTSSTDP2ADORA3NPC1RAB9A
SCHEMBL13899391 0.77 MAOB (0.42) TDP2PPARDPPARA
SCHEMBL17803226 0.76 TDP2 (0.50) CTSSTDP2ADORA3NPC1RAB9A
SCHEMBL19231229 0.75 TDP2 (0.49) CTSSTDP2ADORA3PDE10ANPC1
SCHEMBL18002987 0.72 TRPV3 (0.53) GHSR
SCHEMBL13899120 0.72 NR1H2 (0.50) ARGHSRCXCR2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001332-B Piperidine derivatives 豪夫迈·罗氏有限公司 2020-05-15 CN disclosed
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-10-10 US disclosed
EP-3227282-B1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-03 EP disclosed
US-10172843-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-01-08 US disclosed
EP-3227282-A1 NOVEL PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-10-11 EP disclosed
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-09-21 US disclosed
WO-2016087352-A1 NOVEL PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-06-09 WO disclosed
US-7507832-B2 Triazole PPAR modulators ELI LILLY AND COMPANY (US) 2009-03-24 US disclosed
US-20070112045-A1 Triazole ppar modulators ELI LILLY AND COMPANY 2007-05-17 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 (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-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B CTSS 2891/4885TDP2 2636/4885ADORA3 8/4885
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B CTSS 2891/4885TDP2 2636/4885ADORA3 8/4885
US-20070112045-A1 Triazole ppar modulators PPARD, PPARA, PPARG CTSS 1020/4885TDP2 4704/4885ADORA3 121/4885
US-10172843-B2 Piperidine derivatives ADRA1D, ADORA1, ADRA1A CTSS 2938/4885TDP2 3007/4885ADORA3 17/4885

“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.