SCHEMBL4089105

SCHEMBL4089105

O=C1CC=C[C@H]2CC[C@@H](c3ccc(F)c(F)c3)N12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.36
CNR1 P21554 3/20 0.34
CNR2 P34972 1/20 0.34
SLC6A9 P48067 4/20 0.32
FFAR2 O15552 1/20 0.32
HTR7 P34969 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
P2RX7 Q99572 1/20 0.30

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
SCHEMBL2586632 0.92 L3MBTL1 (0.36) RIPK1CNR1CNR2SLC6A9HTR7
SCHEMBL2590330 0.86
SCHEMBL2584708 0.78
SCHEMBL2584211 0.77
SCHEMBL4096641 0.76 TRPA1 (0.40)
SCHEMBL4511699 0.76 TRPA1 (0.40)
SCHEMBL4511703 0.76 TRPA1 (0.40)
SCHEMBL4512232 0.75 RIPK1 (0.43) RIPK1HTR7
SCHEMBL5123864 0.75 RIPK1 (0.43) RIPK1HTR7
SCHEMBL4512234 0.75 RIPK1 (0.43) RIPK1HTR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
EP-2019094-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-01-28 EP 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 (1 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-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE CLIC4, NR3C2, MAN2B1 RIPK1 4835/4885CNR1 9/4885CNR2 74/4885

“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.