SCHEMBL420880

SCHEMBL420880

COc1cc(C(F)(F)F)cc(OC)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 4/20 0.40
GLA P06280 2/20 0.40
GAA P10253 1/20 0.40
AR P10275 7/20 0.40
PGR P06401 1/20 0.39
PIM1 P11309 1/20 0.38
HPGD P15428 2/20 0.38
GBA1 P04062 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3030161 0.90 KDM4E (0.43) KDM4EMEN1KMT2AALDH1A1GLA
SCHEMBL24407385 0.82 KDM4E (0.40) KDM4EALDH1A1GAAHPGDRAB9A
SCHEMBL29662945 0.81 SQOR (0.50) KDM4EMEN1KMT2AALDH1A1GLA
SCHEMBL424184 0.81 ALDH1A1 (0.47) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL421736 0.81 NPC1 (0.50) KDM4EALDH1A1RAB9AMAPT
SCHEMBL5656320 0.76 AR (0.50) KDM4EALDH1A1ARPGR
SCHEMBL17224685 0.74 AR (0.38) KDM4EMEN1KMT2AALDH1A1GLA
SCHEMBL12725005 0.74 CACNA1H (0.41) KDM4EALDH1A1GLAGAAAR
SCHEMBL3642193 0.74 KDM4E (0.40) KDM4EALDH1A1GLAGAAAR
SCHEMBL2547123 0.74 ALDH1A1 (0.50) KDM4EKMT2AALDH1A1ARHPGD

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102947297-B Amide group-tropane derivatives HOFFMAN-LA ROCHE LTD. (CH) 2015-12-16 CN disclosed
EP-2585456-B1 AMIDO-TROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-09-16 EP disclosed
US-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
CN-102482203-B Carbocyclic GLYT1 receptor antagonists HOFFMANN LA ROCHE 2015-06-03 CN disclosed
EP-2470498-B1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-02-11 EP disclosed
CN-102740848-B Tetrahydro-pyran derivatives against neurological illnesses HOFFMANN LA ROCHE 2014-08-27 CN disclosed
EP-2531190-B1 TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES HOFFMANN LA ROCHE (CH) 2014-07-23 EP 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-8524909-B2 Tetrahydro-pyran derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US disclosed
US-20110312993-A1 AMIDO-TROPANE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-12-22 US disclosed
CN-102292320-A Aroylamino-and heteroaroylamino-substituted piperidines as GLYT-1 inhibitors 2011-12-21 CN disclosed
US-8080541-B2 Carbocyclic GlyT-1 receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2011-12-20 US disclosed
EP-2391603-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
WO-2011095434-A1 TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
US-20110190349-A1 TETRAHYDRO-PYRAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 US disclosed
US-20110053904-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 US disclosed
WO-2011023667-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 WO 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 (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-20110312993-A1 AMIDO-TROPANE DERIVATIVES SLC1A2, SLC18A2, SLC6A1 KDM4E 4774/4885MEN1 2953/4885KMT2A 1891/4885
US-20110053904-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS GRIA1, GLRA1, GRIA3 KDM4E 4374/4885MEN1 4523/4885KMT2A 836/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C KDM4E 2562/4885MEN1 2862/4885KMT2A 1114/4885
US-20110190349-A1 TETRAHYDRO-PYRAN DERIVATIVES GLRA1, GRIA1, GLRA2 KDM4E 3657/4885MEN1 4201/4885KMT2A 1237/4885

“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.