SCHEMBL18952487

SCHEMBL18952487

Cc1ccc(OCC(F)(F)F)c([N+](=O)[O-])n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 12/20 0.62
NPC1 O15118 6/20 0.60
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.58
MAPT P10636 4/20 0.58
ALDH1A1 P00352 4/20 0.56
LMNA P02545 3/20 0.56
HPGD P15428 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HTT P42858 2/20 0.55
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL18952532 0.89 NPC1 (0.58) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18952542 0.82 S1PR4 (0.50) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7011056 0.81 NPC1 (0.67) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18952588 0.81 S1PR4 (0.49) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18952619 0.79 S1PR4 (0.42) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4826271 0.77 S1PR4 (0.42) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2135911 0.76 S1PR4 (0.47) S1PR4MAPTALDH1A1MEN1KMT2A
SCHEMBL187354 0.76 NPC1 (0.64) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL15616516 0.76 KMT2A (0.55) S1PR4NPC1RAB9AMAPTALDH1A1
SCHEMBL29397474 0.75 S1PR4 (0.49) S1PR4NPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386978-B1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
EP-3386978-B1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
US-20200291034-A1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-09-17 US disclosed
US-20200291034-A1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-09-17 US disclosed
US-10562903-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-02-18 US disclosed
US-10562903-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-02-18 US disclosed
US-20190010156-A1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-01-10 US disclosed
EP-3386978-A1 BRIDGED PIPERIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-10-17 EP disclosed
CN-108137579-A Bridging piperidine derivative 豪夫迈·罗氏有限公司 2018-06-08 CN disclosed
WO-2017097728-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-06-15 WO disclosed
WO-2017097728-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-06-15 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-20200291034-A1 BRIDGED PIPERIDINE DERIVATIVES PTGDR, HPGDS, PSEN1 S1PR4 722/4885NPC1 440/4885RAB9A 1413/4885
US-10562903-B2 Bridged piperidine derivatives PTGDR, HPGDS, PSEN1 S1PR4 722/4885NPC1 440/4885RAB9A 1413/4885
US-20190010156-A1 BRIDGED PIPERIDINE DERIVATIVES PTGDR, HPGDS, PSEN1 S1PR4 722/4885NPC1 440/4885RAB9A 1413/4885

“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.