SCHEMBL2118714

SCHEMBL2118714

COCOc1ccc(CC#N)cc1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
DBH P09172 1/20 0.33
CYP17A1 P05093 1/20 0.33
LTA4H P09960 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL3905475 0.88 CYP4F2 (0.36) XDHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL988906 0.83 CYP17A1 (0.45) HTTLMNADBHCYP17A1KDM4E
SCHEMBL334270 0.81 PIK3CD (0.36) XDHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL11444572 0.80 ALDH1A1 (0.41) XDHLMNAALDH1A1
SCHEMBL21964294 0.77 S1PR5 (0.50) HTTLMNALTA4HALDH1A1
SCHEMBL27748078 0.76 PIK3CD (0.33) XDHPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2116744 0.75 SLC6A4 (0.36) XDHHTTKDM4EALDH1A1
SCHEMBL8832399 0.74 CYP17A1 (0.45) XDHCYP17A1ALDH1A1
SCHEMBL2475470 0.74 MEN1 (0.48) ALDH1A1
SCHEMBL4189596 0.74 EPHX2 (0.43)

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 9 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-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-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US 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
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 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 XDH 1085/4885PIK3CD 2999/4885PIK3CA 3903/4885

“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.