SCHEMBL4518142

SCHEMBL4518142

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2CCCC(=O)N2[C@H](c2cccc(F)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.41
P2RX7 Q99572 1/20 0.34
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
PDE5A O76074 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR7 P34969 3/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL4501581 1.00 RIPK1 (0.41) RIPK1P2RX7MAOBMAOAPDE5A
SCHEMBL4498950 0.88 ALDH1A1 (0.36) P2RX7KMT2AALDH1A1HTR7
SCHEMBL12096386 0.88 ALDH1A1 (0.36) P2RX7KMT2AALDH1A1HTR7
SCHEMBL4511386 0.88 ALDH1A1 (0.36) P2RX7KMT2AALDH1A1HTR7
SCHEMBL4498947 0.88 ALDH1A1 (0.36) P2RX7KMT2AALDH1A1HTR7
SCHEMBL12096393 0.88 HDAC1 (0.36) RIPK1KMT2AHDAC1HDAC6
SCHEMBL4509783 0.88 HDAC1 (0.36) RIPK1KMT2AHDAC1HDAC6
SCHEMBL4509787 0.88 HDAC1 (0.36) RIPK1KMT2AHDAC1HDAC6
SCHEMBL2581032 0.75 RIPK1 (0.48) RIPK1P2RX7KMT2AALDH1A1GFER
SCHEMBL4515248 0.75 RIPK1 (0.45) RIPK1P2RX7MAOBMAOAALDH1A1

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 4491/4885P2RX7 1836/4885MAOB 1849/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 RIPK1 4491/4885P2RX7 1836/4885MAOB 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.