SCHEMBL13448669

SCHEMBL13448669

CN1CCN(C)C(C(N)=O)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.37
KCNH2 Q12809 1/20 0.37
PARP1 P09874 1/20 0.34
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FPR2 P25090 2/20 0.33
SCN9A Q15858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
BCHE P06276 1/20 0.30
MAP4K4 O95819 1/20 0.30
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
MMP7 P09237 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL14754513 1.00 CCR2 (0.37) CCR2KCNH2PARP1CYP1A2TDP1
SCHEMBL16003094 1.00 CCR2 (0.37) CCR2KCNH2PARP1CYP1A2TDP1
SCHEMBL27271348 0.82 CCR2 (0.38) CCR2KCNH2PARP1CYP1A2TDP1
SCHEMBL24308854 0.82 CCR2 (0.35) CCR2KCNH2PARP1CYP1A2TDP1
SCHEMBL15432783 0.81
SCHEMBL18929220 0.81
SCHEMBL19293111 0.81
SCHEMBL799809 0.80 CCR2 (0.38) CCR2KCNH2CYP1A2TDP1MMP1
SCHEMBL10125636 0.80 CCR2 (0.38) CCR2KCNH2CYP1A2TDP1MMP1
SCHEMBL13197230 0.80 CYP1A2 (0.39) CCR2KCNH2PARP1CYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022266167-A1 AMIDE AND UREA-CONTAINING TRICYCLIC KRAS INHIBITORS ERASCA, INC. (US) 2022-12-22 WO disclosed
EP-3293184-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2020-12-16 EP disclosed
EP-3666274-A1 CARBOXAMIDE DERIVATIVES AND USE THEREOF Purdue Pharma LP (US) 2020-06-17 EP disclosed
EP-3039019-B1 AZASPIRO[4.5]DECANE DERIVATIVES AND USE THEREOF PURDUE PHARMA LP (US) 2020-04-22 EP disclosed
EP-2964639-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2018-05-02 EP disclosed
US-20170298027-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2017-10-19 US disclosed
EP-2753606-B1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2017-07-05 EP disclosed
US-9656968-B2 Pyrimidines as sodium channel blockers PURDUE PHARMA L.P. 2017-05-23 US disclosed
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 US disclosed
US-20160024022-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2016-01-28 US disclosed
US-9227978-B2 Covalent inhibitors of Kras G12C ARAXES PHARMA LLC (US) 2016-01-05 US disclosed
US-9163008-B2 Pyrimidines as sodium channel blockers PURDUE PHARMA, L.P. (US) 2015-10-20 US disclosed
US-20140303139-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2014-10-09 US disclosed
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2014-09-25 US disclosed
WO-2013030665-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2013-03-07 WO disclosed
WO-2010031820-A1 GLUCOSIDE DERIVATIVES AND USES THEREOF AS SGLT INHIBITORS NOVARTIS AG (CH) 2010-03-25 WO disclosed
US-7365077-B2 Piperazine bis-amide derivatives and their use as antagonists of the orexin receptor SMITHKLINE BEECHAM P.L.C. (GB) 2008-04-29 US 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-20160024022-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS P2RX3, CACNA1A, P2RX4 CCR2 2648/4885KCNH2 51/4885PARP1 4217/4885
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CCR2 3235/4885KCNH2 3602/4885PARP1 1075/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CCR2 3235/4885KCNH2 3602/4885PARP1 1075/4885
US-20170298027-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS P2RX3, CACNA1A, P2RX4 CCR2 2648/4885KCNH2 51/4885PARP1 4217/4885
US-20140303139-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS P2RX1, P2RX4, P2RX2 CCR2 2867/4885KCNH2 48/4885PARP1 3973/4885

“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.