SCHEMBL2118434

SCHEMBL2118434

COCc1ccnc(OC(N)=O)c1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
CYP11B2 P19099 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL16702973 0.80 LMNA (0.33) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL1161265 0.77 RAB9A (0.35) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL28912597 0.69 LIPE (0.35)
SCHEMBL29100772 0.67 P2RY1 (0.44) RAB9A
SCHEMBL16737211 0.65 SLC13A5 (0.41) RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL29251437 0.65 TDP1 (0.40) NPC1RAB9ALMNAKDM4E
SCHEMBL28969394 0.65 PTGDR2 (0.33) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL7544495 0.65 CDC7 (0.39) SMN1; SMN2LMNAKDM4E
SCHEMBL3200825 0.62 HTT (0.42) NPC1RAB9ALMNAKDM4EALOX12
SCHEMBL30975199 0.62 MEN1 (0.50) NPC1RAB9ASMN1; SMN2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed
EP-2626350-A1 CYCLOPROPANE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-08-14 EP disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 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 (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-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 NPC1 469/4885RAB9A 1394/4885TP53 4872/4885

“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.