SCHEMBL4512232

SCHEMBL4512232

O=C1CC=CC2CCCC(c3cccc(F)c3)N12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.43
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.39
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
HTR7 P34969 1/20 0.36
KMT2A Q03164 1/20 0.35
PIK3C3 Q8NEB9 2/20 0.35
KDM4E B2RXH2 1/20 0.34
GRIA4 P48058 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
SCHEMBL4512234 1.00 RIPK1 (0.43) RIPK1TSHRALDH1A1GFERMAOB
SCHEMBL5123864 1.00 RIPK1 (0.43) RIPK1TSHRALDH1A1GFERMAOB
SCHEMBL4511699 0.84 TRPA1 (0.40) TSHRALDH1A1GFERKMT2AKDM4E
SCHEMBL4511703 0.84 TRPA1 (0.40) TSHRALDH1A1GFERKMT2AKDM4E
SCHEMBL4096641 0.84 TRPA1 (0.40) TSHRALDH1A1GFERKMT2AKDM4E
SCHEMBL2586632 0.83 L3MBTL1 (0.36) RIPK1TSHRHTR7GRIA4
SCHEMBL2584708 0.80
SCHEMBL4513725 0.76 ALDH1A1 (0.41) RIPK1TSHRALDH1A1MAOBMAOA
SCHEMBL4513726 0.76 ALDH1A1 (0.41) RIPK1TSHRALDH1A1MAOBMAOA
SCHEMBL2584056 0.76 MEN1 (0.38) TSHRALDH1A1KMT2AKDM4E

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 4491/4885TSHR 4749/4885ALDH1A1 869/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 RIPK1 4491/4885TSHR 4749/4885ALDH1A1 869/4885

“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.