SCHEMBL17803263

SCHEMBL17803263

Cn1nc(CCl)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.65
CTSS P25774 2/20 0.47
TDP2 O95551 1/20 0.44
TMEM97 Q5BJF2 2/20 0.42
AOC3 Q16853 2/20 0.41

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
SCHEMBL19231182 0.84 SIGMAR1 (0.64) SIGMAR1CTSSTDP2TMEM97AOC3
SCHEMBL22095095 0.79 SIGMAR1 (1.00) SIGMAR1CTSSTMEM97
SCHEMBL6969973 0.79 NR1H3 (0.58) SIGMAR1TMEM97
SCHEMBL27216894 0.76 SIGMAR1 (0.55) SIGMAR1CTSSTDP2
SCHEMBL17803244 0.76 SIGMAR1 (0.55) SIGMAR1CTSSTMEM97AOC3
SCHEMBL17803359 0.74 CTSS (0.48) SIGMAR1CTSSTDP2
SCHEMBL17803226 0.73 TDP2 (0.50) SIGMAR1CTSSTDP2AOC3
Hydrochloric Acid SCHEMBL28846665 0.73 CTSS (0.47) SIGMAR1CTSSTDP2
SCHEMBL13239882 0.73 PTGS2 (0.45) SIGMAR1
SCHEMBL13239883 0.72 MALT1 (0.44) SIGMAR1

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 14 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
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
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
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
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-09-21 US disclosed
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-09-21 US disclosed
CN-107001332-A New piperidine derivative 豪夫迈·罗氏有限公司 2017-08-01 CN disclosed
WO-2016087352-A1 NOVEL PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-06-09 WO disclosed
WO-2016087352-A1 NOVEL PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-06-09 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 (3 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 SIGMAR1 30/4885CTSS 2891/4885TDP2 2636/4885
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B SIGMAR1 30/4885CTSS 2891/4885TDP2 2636/4885
US-10172843-B2 Piperidine derivatives ADRA1D, ADORA1, ADRA1A SIGMAR1 62/4885CTSS 2938/4885TDP2 3007/4885

“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.