SCHEMBL16023945

SCHEMBL16023945

CC1(C)OB(c2ccc(Oc3ccc(F)cc3)cc2CN2CCC2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
LTA4H P09960 1/20 0.40
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CXCR2 P25025 2/20 0.37
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
SCN9A Q15858 4/20 0.36
CACNA1B Q00975 3/20 0.34
HTR6 P50406 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
GAA P10253 1/20 0.34
CACNB4 O00305 1/20 0.33
CACNA1A O00555 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNG3 O60359 1/20 0.33
CACNA1F O60840 1/20 0.33

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
SCHEMBL16023896 0.98 LTA4H (0.43) PDE4APDE4BPDE4CPDE4DLTA4H
SCHEMBL16023886 0.97 LTA4H (0.42) PDE4APDE4BPDE4CPDE4DLTA4H
SCHEMBL16535166 0.84 KDM4E (0.50) LTA4HKDM4ESMN1; SMN2CXCR2LPL
SCHEMBL16023888 0.82 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DCXCR2
SCHEMBL16023943 0.78 SCN9A (0.46) LTA4HKDM4ESMN1; SMN2LPLLIPG
SCHEMBL16023890 0.78 CYP19A1 (0.40) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL20117163 0.78
SCHEMBL16023944 0.77 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL18194092 0.77 CXCR2 (0.39) PDE4APDE4BPDE4CPDE4DCXCR2
SCHEMBL7864997 0.76 CXCR2 (0.39) PDE4APDE4BPDE4CPDE4DCXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3293184-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2020-12-16 EP disclosed
US-10196364-B2 Pyrimidine carboxamides as sodium channel blockers PURDUE PHARMA L.P. (US) 2019-02-05 US disclosed
EP-3293184-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS Purdue Pharma L.P. (US) 2018-03-14 EP disclosed
US-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2017-07-27 US disclosed
US-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2017-07-27 US disclosed
US-9637458-B2 Pyrimidine carboxamides as sodium channel blockers PURDUE PHARMA L.P. 2017-05-02 US disclosed
US-9637458-B2 Pyrimidine carboxamides as sodium channel blockers PURDUE PHARMA L.P. 2017-05-02 US disclosed
US-20160009659-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2016-01-14 US disclosed
US-20160009659-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2016-01-14 US disclosed
WO-2014135955-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-09-12 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-10196364-B2 Pyrimidine carboxamides as sodium channel blockers CACNA1A, TRPV1, TRPA1 PDE4A 374/4885PDE4B 560/4885PDE4C 606/4885
US-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS CACNA1A, TRPV1, TRPA1 PDE4A 374/4885PDE4B 560/4885PDE4C 606/4885
US-20160009659-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS CACNA1A, TRPV1, TRPA1 PDE4A 370/4885PDE4B 540/4885PDE4C 567/4885

“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.