SCHEMBL3012993

SCHEMBL3012993

O=[N+]([O-])Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.51
ACP3 P15309 1/20 0.51
IDO1 P14902 2/20 0.50
FBP1 P09467 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
DAO P14920 3/20 0.48
MIF P14174 2/20 0.46
KIF11 P52732 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
EPHX1 P07099 1/20 0.44

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
SCHEMBL10780845 0.83 TAAR1 (0.57) TAAR1ACP3IDO1FBP1HTR2A
SCHEMBL9321479 0.80 TSHR (0.45) FBP1ALDH1A1LMNA
SCHEMBL11562031 0.80 TAAR1 (0.54) TAAR1ACP3IDO1FBP1HTR2A
SCHEMBL28569050 0.78 FBP1 (0.53) TAAR1ACP3IDO1FBP1HTR2A
SCHEMBL28057460 0.77 FBP1 (0.47) TAAR1IDO1FBP1MAOAMAOB
SCHEMBL10796106 0.76 MEN1 (0.57) ACP3DAOKIF11KDM4EALDH1A1
SCHEMBL28104857 0.76 HTR2A (0.54) TAAR1ACP3IDO1FBP1HTR2A
SCHEMBL28104855 0.76 TAAR1 (0.53) TAAR1ACP3IDO1FBP1HTR2A
SCHEMBL10784298 0.76 MEN1 (0.49) TAAR1ACP3IDO1FBP1HTR2A
SCHEMBL3027821 0.76 TAAR1 (0.47) TAAR1IDO1FBP1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
CN-102292320-B Aroylamino-and heteroaroylamino-substituted piperidines as GLYT-1 inhibitors HOFFMANN LA ROCHE 2014-07-02 CN disclosed
EP-2391603-B1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
CN-102292320-A Aroylamino-and heteroaroylamino-substituted piperidines as GLYT-1 inhibitors 2011-12-21 CN disclosed
EP-2391603-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 US disclosed
WO-2010086251-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 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 (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-20130158050-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C TAAR1 82/4885ACP3 2071/4885IDO1 605/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C TAAR1 82/4885ACP3 2071/4885IDO1 605/4885

“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.