SCHEMBL2587450

SCHEMBL2587450

O=C1CCC[C@H]2CC[C@@H](c3cc(F)ccc3F)N12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.38
KDM1A O60341 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
KDM1B Q8NB78 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
RIPK1 Q13546 2/20 0.36
RAB9A P51151 1/20 0.35
DPP4 P27487 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PIK3C3 Q8NEB9 2/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 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
SCHEMBL2575522 0.89 P2RX7 (0.38) P2RX7MEN1KMT2AALDH1A1TSHR
SCHEMBL5139123 0.84 P2RX7 (0.32) P2RX7MEN1KMT2AALDH1A1TSHR
SCHEMBL2585902 0.84 P2RX7 (0.32) P2RX7MEN1KMT2AALDH1A1TSHR
SCHEMBL2587883 0.82 P2RX7 (0.39) P2RX7MEN1KMT2AALDH1A1TSHR
SCHEMBL4088718 0.79 P2RX7 (0.38) P2RX7MEN1KMT2AALDH1A1TSHR
SCHEMBL2578323 0.78 HCRTR1 (0.34) P2RX7MEN1KMT2AALDH1A1TSHR
SCHEMBL2581032 0.78 RIPK1 (0.48) P2RX7MEN1KMT2AALDH1A1TSHR
SCHEMBL4521089 0.77 ALDH1A1 (0.41) MEN1KMT2ANPC1ALDH1A1TSHR
SCHEMBL4521091 0.77 ALDH1A1 (0.41) MEN1KMT2ANPC1ALDH1A1TSHR
SCHEMBL2578837 0.77 MEN1 (0.36) P2RX7MEN1KMT2AALDH1A1TSHR

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 1836/4885KDM1A 1703/4885MEN1 184/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 P2RX7 1836/4885KDM1A 1703/4885MEN1 184/4885

“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.