SCHEMBL805967

SCHEMBL805967

CC1(C)OB(c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)OC1(C)C

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 14/20 0.60
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 1/20 0.52
RAB9A P51151 1/20 0.49
THRB P10828 1/20 0.48
MAPK1 P28482 1/20 0.47
BCHE P06276 1/20 0.45

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
SCHEMBL805968 0.83 CA1 (0.49) LIPE
SCHEMBL14746564 0.83 LPL (0.53) LIPE
SCHEMBL15383840 0.81 KDM4E (0.44) LIPERAB9A
SCHEMBL14743896 0.81 NPC1 (0.47) LIPERAB9A
SCHEMBL19019672 0.80 KDM4E (0.54) LIPERAB9A
SCHEMBL14165741 0.80 LPL (0.53) LIPE
SCHEMBL14746622 0.80 LIPE (0.46) LIPE
SCHEMBL11351938 0.80 MAPT (0.69) LIPEMAPTNPSR1LMNARAB9A
SCHEMBL31491396 0.77 DGAT1 (0.47) LIPE
SCHEMBL5784394 0.77 DGAT1 (0.52) LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083606-B1 PYRIMIDINES AND USE THEREOF PURDUE PHARMA LP (US) 2020-10-28 EP disclosed
US-10000475-B2 Triazine carboxamides as sodium channel blockers PURDUE PHARMA L.P. (US) 2018-06-19 US disclosed
US-9765029-B2 Pyridine compounds as sodium channel blockers PURDUE PHARMA L.P. (US) 2017-09-19 US disclosed
US-9765029-B2 Pyridine compounds as sodium channel blockers PURDUE PHARMA L.P. (US) 2017-09-19 US disclosed
US-9745287-B2 Pyrimidines and use thereof PURDUE PHARMA L.P. (US) 2017-08-29 US disclosed
US-9637458-B2 Pyrimidine carboxamides as sodium channel blockers PURDUE PHARMA L.P. 2017-05-02 US disclosed
US-20160332992-A1 PYRIMIDINES AND USE THEREOF PURDUE PHARMA L.P. 2016-11-17 US disclosed
US-20160009659-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2016-01-14 US disclosed
US-20150353512-A1 TRIAZINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2015-12-10 US disclosed
US-20150344465-A1 PYRIDINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2015-12-03 US disclosed
US-20150344465-A1 PYRIDINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2015-12-03 US disclosed
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-09-17 US disclosed
US-9120752-B2 Pyridine compounds as sodium channel blockers PURDUE PHARMA, L.P. (US) 2015-09-01 US disclosed
US-9120752-B2 Pyridine compounds as sodium channel blockers PURDUE PHARMA, L.P. (US) 2015-09-01 US disclosed
US-9120786-B2 Triazine carboxamides as sodium channel blockers PURDUE PHARMA, L.P. (US) 2015-09-01 US disclosed
WO-2015094443-A1 PYRIMIDINES AND USE THEREOF PURDUE PHARMA L.P. (US) 2015-06-25 WO disclosed
US-9056832-B2 Pyridine compounds and the users thereof PURDUE PHARMA L.P. (US) 2015-06-16 US disclosed
US-20140249128-A1 TRIAZINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-09-04 US disclosed
US-20130303526-A1 Pyridine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2013-11-14 US disclosed
WO-2012035421-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2012-03-22 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 (8 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-20140249128-A1 TRIAZINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS TRPV1, SCN2A, SCN2B LIPE 2804/4885MAPT 3332/4885NPSR1 129/4885
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF TRPV1, CACNA1A, KCNA1 LIPE 4063/4885MAPT 3114/4885NPSR1 99/4885
US-20150353512-A1 TRIAZINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS TRPV1, SCN2A, SCN2B LIPE 2804/4885MAPT 3332/4885NPSR1 129/4885
US-10000475-B2 Triazine carboxamides as sodium channel blockers TRPV1, SCN2A, SCN2B LIPE 2804/4885MAPT 3332/4885NPSR1 129/4885
US-20160009659-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS CACNA1A, TRPV1, TRPA1 LIPE 3898/4885MAPT 3982/4885NPSR1 179/4885
US-20130303526-A1 Pyridine Compounds and the Uses Thereof TRPV1, CACNA1A, KCNA1 LIPE 4063/4885MAPT 3114/4885NPSR1 99/4885
US-20160332992-A1 PYRIMIDINES AND USE THEREOF ADORA2B, P2RX2, P2RX3 LIPE 4338/4885MAPT 3583/4885NPSR1 148/4885
US-20150344465-A1 PYRIDINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS SCN1B, CACNA1A, SCN1A LIPE 4468/4885MAPT 2389/4885NPSR1 149/4885

“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.