SCHEMBL1285707

SCHEMBL1285707

CC1CN(c2nc(C(F)(F)F)nc3ccc(C(=O)O)cc23)CC(C)O1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
TSHR P16473 4/20 0.55
HSD17B10 Q99714 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
MAPK1 P28482 1/20 0.46
TLR7 Q9NYK1 2/20 0.44
CCNE2 O96020 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
ALDH1A1 P00352 7/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL1643365 0.93 KDM4E (0.53) KDM4ETSHRHSD17B10NPSR1MAPK1
SCHEMBL1688375 0.91 KDM4E (0.50) KDM4ETSHRHSD17B10NPSR1MAPK1
SCHEMBL1285490 0.88 ALDH1A1 (0.50) KDM4ETSHRHSD17B10NPSR1MAPK1
SCHEMBL4303881 0.80 TLR7 (0.61) KDM4EHSD17B10TLR7CCNE2CCNE1
SCHEMBL1285040 0.76 TRPV1 (0.43) KDM4ETSHRHSD17B10NPSR1
SCHEMBL14378404 0.75 KDM4E (0.40) KDM4ETSHRHSD17B10NPSR1
SCHEMBL1644191 0.75 PIK3CA (0.50) TSHRHSD17B10NPSR1MAPK1TLR7
SCHEMBL1644300 0.74 TLR7 (0.57) TLR7CCNE2CCNE1CDK2KMT2A
SCHEMBL1285373 0.73 ALDH1A1 (0.48) KDM4ETLR7CCNE2CCNE1CDK2
SCHEMBL1285711 0.73 ABCG2 (0.53) KDM4EHSD17B10TLR7ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP claimed
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 claimed
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
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP 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 KDM4E 4075/4885TSHR 2959/4885HSD17B10 3107/4885

“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.