SCHEMBL4520150

SCHEMBL4520150

C=CCC(=O)N1[C@H](C=C)CCC[C@@H]1c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.45
OPRK1 P41145 4/20 0.38
OPRM1 P35372 3/20 0.38
OPRD1 P41143 2/20 0.38
JAK2 O60674 2/20 0.37
NTRK1 P04629 2/20 0.37
LMNA P02545 1/20 0.36
PDE5A O76074 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
DRD4 P21917 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CALCRL Q16602 1/20 0.34
MAOB P27338 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
SCHEMBL4520149 1.00 RIPK1 (0.45) RIPK1OPRK1OPRM1OPRD1JAK2
SCHEMBL4521461 0.85 FFAR2 (0.38) RIPK1LMNAALDH1A1MAOBTSHR
SCHEMBL4521465 0.85 FFAR2 (0.38) RIPK1LMNAALDH1A1MAOBTSHR
SCHEMBL4514297 0.82 RIPK1 (0.37) RIPK1OPRK1OPRM1OPRD1PDE5A
SCHEMBL4514302 0.82 RIPK1 (0.37) RIPK1OPRK1OPRM1OPRD1PDE5A
SCHEMBL2585816 0.81 RIPK1 (0.37) RIPK1OPRK1JAK2NTRK1ALDH1A1
SCHEMBL2585819 0.81 RIPK1 (0.40) RIPK1OPRK1OPRM1OPRD1PDE5A
SCHEMBL2585817 0.81 RIPK1 (0.40) RIPK1OPRK1OPRM1OPRD1PDE5A
SCHEMBL4097126 0.80 FFAR2 (0.43) LMNAALDH1A1MAOBTSHRMEN1
SCHEMBL4511219 0.79 PKM (0.39) RIPK1PDE5AKDM4EALDH1A1PKM

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-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP 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 RIPK1 4491/4885OPRK1 2385/4885OPRM1 2045/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 RIPK1 4491/4885OPRK1 2385/4885OPRM1 2045/4885

“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.