SCHEMBL2587657

SCHEMBL2587657

O=C1CCCC[C@@H]2CC[C@H](c3ccc(F)c(F)c3)N12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
PGR P06401 2/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 1/20 0.37
RIPK1 Q13546 1/20 0.36
P2RX7 Q99572 3/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL2581234 1.00 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL4088718 0.96 P2RX7 (0.38) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL4521177 0.90 P2RX7 (0.39) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL2583972 0.90 P2RX7 (0.39) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL4521180 0.90 P2RX7 (0.39) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL2581567 0.87 P2RX7 (0.41) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL2577904 0.81 P2RX7 (0.33) ALDH1A1MEN1KMT2ATSHRP2RX7
SCHEMBL4513877 0.81 L3MBTL1 (0.34) ALDH1A1MEN1KMT2ATSHRPGR
SCHEMBL2586430 0.80 RIPK1 (0.34) ALDH1A1MEN1KMT2ATSHRNPSR1
SCHEMBL4512076 0.78 MEN1 (0.50) ALDH1A1MEN1KMT2ATSHRNPSR1

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-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP disclosed
US-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US disclosed
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US disclosed
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117839-A1 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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 (2 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-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND APP, BACE1, PSEN1 ALDH1A1 869/4885MEN1 184/4885KMT2A 3271/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 ALDH1A1 869/4885MEN1 184/4885KMT2A 3271/4885

“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.