SCHEMBL17315802

SCHEMBL17315802

CCOC(=O)C(F)(F)c1ncc(Cl)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ CNR2 P34972 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL14932583 0.87 L3MBTL1 (0.41) HTTL3MBTL1ALDH1A1ABCB11CYP1A2
SCHEMBL17315789 0.86 KDM4E (0.38) HTTL3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL17315815 0.86 KDM4E (0.38) L3MBTL1ALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL17622561 0.83 KDM4E (0.39) L3MBTL1ALDH1A1HPGDKDM4EKMT2A
SCHEMBL17315810 0.83 L3MBTL1 (0.46) L3MBTL1ALDH1A1HPGDKDM4EKMT2A
SCHEMBL15999650 0.79 L3MBTL1 (0.41) HTTL3MBTL1ALDH1A1ABCB11CYP1A2
SCHEMBL16552188 0.77 L3MBTL1 (0.40) L3MBTL1ALDH1A1ABCB11CYP1A2CYP3A4
SCHEMBL14932582 0.77 L3MBTL1 (0.57) L3MBTL1ALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL20406660 0.75 CYP3A4 (0.40) L3MBTL1ALDH1A1CYP3A4HPGDCNR2
SCHEMBL20271838 0.75 L3MBTL1 (0.41) HTTL3MBTL1ALDH1A1ABCB11CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10420768-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2019-09-24 — — US disclosed
US-10420768-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2019-09-24 — — US disclosed
EP-3194403-B1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS CAYMAN LTD (KY) 2019-02-06 — — EP disclosed
EP-3152213-B1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS CAYMAN LTD (KY) 2018-10-31 — — EP disclosed
US-20180303834-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-10-25 — — US disclosed
US-10030026-B2 Difluoroethylpyridine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-07-24 — — US disclosed
US-10030026-B2 Difluoroethylpyridine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-07-24 — — US disclosed
US-10030026-B2 Difluoroethylpyridine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-07-24 — — US disclosed
US-9968610-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (US) 2018-05-15 — — US disclosed
US-9968610-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (US) 2018-05-15 — — US disclosed
US-20170101412-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-04-13 — — US disclosed
US-20170101412-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-04-13 — — US disclosed
EP-3152213-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS Rugen Holdings (Cayman) Limited (KY) 2017-04-12 — — EP disclosed
US-9567341-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-02-14 — — US disclosed
US-9567341-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-02-14 — — US disclosed
US-9567341-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-02-14 — — US disclosed
US-20160075713-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2016-03-17 — — US disclosed
US-20160075713-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2016-03-17 — — US disclosed
WO-2015187845-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2015-12-10 — — WO disclosed
WO-2015187845-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2015-12-10 — — 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 (5 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-10030026-B2 Difluoroethylpyridine derivatives as NR2B NMDA receptor antagonists GRIN1, GRIN2A, GRIN2B S1PR1 417/4885S1PR3 519/4885HTT 840/4885
US-10420768-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists GRIN1, GRIN2A, GRIN2B S1PR1 647/4885S1PR3 850/4885HTT 1542/4885
US-20160075713-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B S1PR1 647/4885S1PR3 850/4885HTT 1542/4885
US-20170101412-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B S1PR1 417/4885S1PR3 519/4885HTT 840/4885
US-20180303834-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B S1PR1 647/4885S1PR3 850/4885HTT 1542/4885

“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.

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