SCHEMBL1644304

SCHEMBL1644304

COC(=O)c1cnc2cc(C3CC3)cnc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.41
ATM Q13315 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
HPGDS O60760 2/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRK1 P41145 2/20 0.39
PSMD14 O00487 1/20 0.39
HDAC4 P56524 2/20 0.39
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL1284881 0.84 CYP2C9 (0.46) PDGFRBPDGFRAALDH1A1
SCHEMBL4312782 0.81 HDAC4 (0.45) PDGFRBPDGFRAKDM4EL3MBTL1HDAC4
SCHEMBL29940332 0.80 ALOX15 (0.48) MAPK1PDGFRBPDGFRAHPGDSKDM4E
SCHEMBL29940558 0.80 HTT (0.55) MAPK1PDGFRBPDGFRAKDM4EL3MBTL1
SCHEMBL19780100 0.80 HTT (0.55) MAPK1PDGFRBPDGFRAKDM4EL3MBTL1
SCHEMBL17067735 0.80 ATM (0.57) MAPK1ATMKDM4EL3MBTL1HSD17B10
SCHEMBL15263819 0.75 CYP4F2 (0.41) MAPK1PDGFRBPDGFRAKDM4EL3MBTL1
SCHEMBL25953866 0.75 CYP4F2 (0.41) MAPK1PDGFRBPDGFRAKDM4EL3MBTL1
SCHEMBL4389273 0.75 CA12 (0.52) ATMKDM4EL3MBTL1HSD17B10ALDH1A1
SCHEMBL28345880 0.74 HDAC4 (0.45) MAPK1HPGDSKDM4EL3MBTL1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 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 (1 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 MAPK1 1154/4885ATM 1638/4885PDGFRB 1019/4885

“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.