SCHEMBL4517482

SCHEMBL4517482

O=C1C(I)CC[C@@H]2CCC[C@H](c3cccc(F)c3)N12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.43
TSHR P16473 1/20 0.41
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
PDE5A O76074 1/20 0.35
ALDH1A1 P00352 3/20 0.35
USP2 O75604 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
PIK3C3 Q8NEB9 2/20 0.35
GRIA4 P48058 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A2 O94788 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
SCHEMBL5096224 1.00 RIPK1 (0.43) RIPK1TSHRMAOBMAOAPDE5A
SCHEMBL4517479 1.00 RIPK1 (0.43) RIPK1TSHRMAOBMAOAPDE5A
SCHEMBL4092429 0.84 ALDH1A1 (0.45) TSHRALDH1A1KDM4EKMT2ALMNA
SCHEMBL5027850 0.81 RIPK1 (0.42) RIPK1TSHRMAOBMAOAPDE5A
SCHEMBL4515248 0.80 RIPK1 (0.45) RIPK1TSHRMAOBMAOAALDH1A1
SCHEMBL4506032 0.80 RIPK1 (0.45) RIPK1TSHRMAOBMAOAALDH1A1
SCHEMBL2581555 0.80 MGLL (0.31) TSHRALDH1A1KMT2A
SCHEMBL4503885 0.80 ALDH1A1 (0.46) TSHRALDH1A1KDM4EKMT2ALMNA
SCHEMBL2581032 0.77 RIPK1 (0.48) RIPK1TSHRALDH1A1KDM4EKMT2A
SCHEMBL4503119 0.76 ALDH1A1 (0.41) RIPK1TSHRMAOBMAOAPDE5A

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 4749/4885MAOB 1849/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 RIPK1 4491/4885TSHR 4749/4885MAOB 1849/4885

“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.