SCHEMBL2575522

SCHEMBL2575522

O=C1CCC[C@H]2CC[C@@H](c3ccc(F)cc3F)N12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
SRD5A1 P18405 3/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.35
SLC6A9 P48067 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
SCHEMBL2587450 0.89 P2RX7 (0.38) P2RX7HCRTR1HCRTR2MEN1ALDH1A1
SCHEMBL2585902 0.84 P2RX7 (0.32) P2RX7HCRTR1HCRTR2MEN1ALDH1A1
SCHEMBL5139123 0.84 P2RX7 (0.32) P2RX7HCRTR1HCRTR2MEN1ALDH1A1
SCHEMBL2587883 0.82 P2RX7 (0.39) P2RX7HCRTR1HCRTR2MEN1ALDH1A1
SCHEMBL2578323 0.81 HCRTR1 (0.34) P2RX7HCRTR1HCRTR2MEN1ALDH1A1
SCHEMBL2581032 0.81 RIPK1 (0.48) P2RX7MEN1ALDH1A1TSHRKMT2A
SCHEMBL4521089 0.77 ALDH1A1 (0.41) HCRTR1HCRTR2MEN1ALDH1A1TSHR
SCHEMBL4521091 0.77 ALDH1A1 (0.41) HCRTR1HCRTR2MEN1ALDH1A1TSHR
SCHEMBL2578467 0.77 HCRTR1 (0.32) P2RX7HCRTR1HCRTR2MEN1ALDH1A1
SCHEMBL2578837 0.77 MEN1 (0.36) P2RX7MEN1ALDH1A1TSHRKMT2A

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 P2RX7 1836/4885HCRTR1 753/4885HCRTR2 539/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 P2RX7 1836/4885HCRTR1 753/4885HCRTR2 539/4885

“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.