SCHEMBL2581032

SCHEMBL2581032

O=C1CCC[C@H]2CC[C@@H](c3cccc(F)c3)N12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.48
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 1/20 0.36
P2RX7 Q99572 3/20 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
SCHEMBL4515248 0.94 RIPK1 (0.45) RIPK1ALDH1A1TSHRHTTGFER
SCHEMBL4506032 0.94 RIPK1 (0.45) RIPK1ALDH1A1TSHRHTTGFER
SCHEMBL2578837 0.85 MEN1 (0.36) RIPK1ALDH1A1TSHRHTTMEN1
SCHEMBL2587441 0.83 MDM2 (0.44) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL28992315 0.83 MDM2 (0.44) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL4088718 0.82 P2RX7 (0.38) RIPK1ALDH1A1TSHRHTTMEN1
SCHEMBL2575522 0.81 P2RX7 (0.38) ALDH1A1TSHRMEN1KMT2AP2RX7
SCHEMBL2577904 0.78 P2RX7 (0.33) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL2587657 0.78 ALDH1A1 (0.39) RIPK1ALDH1A1TSHRHTTMEN1
SCHEMBL2581234 0.78 ALDH1A1 (0.39) RIPK1ALDH1A1TSHRHTTMEN1

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 5 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-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US 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 4491/4885ALDH1A1 869/4885TSHR 4749/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 RIPK1 4491/4885ALDH1A1 869/4885TSHR 4749/4885

“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.