SCHEMBL3024092

SCHEMBL3024092

O=C(O)c1ccc(C(F)(F)F)cc1C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.60
KDM1A O60341 1/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4C Q9H3R0 1/20 0.47
CAMKK2 Q96RR4 2/20 0.47
LIPC P11150 1/20 0.47
LIPG Q9Y5X9 1/20 0.47
USP2 O75604 1/20 0.46
CYP2C19 P33261 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
ACMSD Q8TDX5 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 0.98 PTGDR2 (0.58) PTGDR2KDM1AKDM4EALDH1A1HPGD
SCHEMBL420174 0.95 PTGDR2 (0.54) PTGDR2KDM1AKDM4EALDH1A1HPGD
SCHEMBL421273 0.92 KDM4E (0.56) PTGDR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27903406 0.87 PTGDR2 (0.55) PTGDR2KDM1AKDM4EALDH1A1HPGD
SCHEMBL3023005 0.83 CFTR (0.56) PTGDR2KDM1A
SCHEMBL6910638 0.82 PTGDR2 (0.50) PTGDR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7030581 0.81 MRGPRX4 (0.47) PTGDR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7030578 0.81 MRGPRX4 (0.47) PTGDR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27486621 0.81 PTGDR2 (0.48) PTGDR2KDM4CMRGPRX4
SCHEMBL16449418 0.79 EPHX2 (0.50) PTGDR2

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 16 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
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-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-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US 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
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 (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 PTGDR2 400/4885KDM1A 1277/4885KDM4E 2562/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C PTGDR2 400/4885KDM1A 1277/4885KDM4E 2562/4885

“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.