SCHEMBL4515248

SCHEMBL4515248

O=C1CCCC2CCCC(c3cccc(F)c3)N12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.45
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
P2RX7 Q99572 2/20 0.38
ALDH1A2 O94788 2/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL4506032 1.00 RIPK1 (0.45) RIPK1TSHRALDH1A1KDM4EMAOA
SCHEMBL2581032 0.94 RIPK1 (0.48) RIPK1TSHRALDH1A1KDM4EHTT
SCHEMBL4511395 0.82 TSHR (0.48) TSHRALDH1A1HTTP2RX7HCRTR1
SCHEMBL4511392 0.82 TSHR (0.48) TSHRALDH1A1HTTP2RX7HCRTR1
SCHEMBL4087896 0.82 TSHR (0.48) TSHRALDH1A1HTTP2RX7HCRTR1
SCHEMBL4511780 0.82 TSHR (0.48) TSHRALDH1A1HTTP2RX7HCRTR1
SCHEMBL2583972 0.82 P2RX7 (0.39) RIPK1TSHRALDH1A1HTTP2RX7
SCHEMBL4521177 0.82 P2RX7 (0.39) RIPK1TSHRALDH1A1HTTP2RX7
SCHEMBL4521180 0.82 P2RX7 (0.39) RIPK1TSHRALDH1A1HTTP2RX7
SCHEMBL4517482 0.80 RIPK1 (0.43) RIPK1TSHRALDH1A1KDM4EMAOA

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.