SCHEMBL420174

SCHEMBL420174

O=C(O)c1ccc(C(F)(F)F)cc1C1CCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
KDM4C Q9H3R0 1/20 0.48
LIPC P11150 1/20 0.48
LIPG Q9Y5X9 1/20 0.48
KDM1A O60341 1/20 0.47
USP2 O75604 1/20 0.47
CYP2C19 P33261 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
CES2 O00748 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
SCHEMBL3019598 0.97 PTGDR2 (0.58) PTGDR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3024092 0.95 PTGDR2 (0.60) PTGDR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL421273 0.94 KDM4E (0.56) PTGDR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6910638 0.86 PTGDR2 (0.50) PTGDR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7030578 0.82 MRGPRX4 (0.47) PTGDR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7030581 0.82 MRGPRX4 (0.47) PTGDR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27486621 0.82 PTGDR2 (0.48) PTGDR2KDM4CMRGPRX4CES2
SCHEMBL27903406 0.82 PTGDR2 (0.55) PTGDR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16449430 0.79 PTGDR2 (0.46) PTGDR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12439658 0.79 KDM4C (0.46) PTGDR2KDM4EALDH1A1HPGDHSD17B10

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 35 patents — showing the first 20. 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
US-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US 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
EP-2470498-B1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-02-11 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
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
US-20110053904-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 US disclosed
US-20110053904-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 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
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
US-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 US 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
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 (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-20130158050-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C PTGDR2 400/4885KDM4E 2562/4885ALDH1A1 55/4885
US-20110053904-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS GRIA1, GLRA1, GRIA3 PTGDR2 479/4885KDM4E 4374/4885ALDH1A1 1488/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C PTGDR2 400/4885KDM4E 2562/4885ALDH1A1 55/4885

“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.