SCHEMBL4097126

SCHEMBL4097126

C=CCC(=O)N1[C@@H](C=O)CCC[C@H]1c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.43
TRPA1 O75762 1/20 0.36
HSD11B1 P28845 1/20 0.34
YAP1 P46937 1/20 0.34
TEAD4 Q15561 1/20 0.34
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MCOLN3 Q8TDD5 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
SCHEMBL4521465 0.94 FFAR2 (0.38) FFAR2TRPA1HSD11B1YAP1TEAD4
SCHEMBL4521461 0.94 FFAR2 (0.38) FFAR2TRPA1HSD11B1YAP1TEAD4
SCHEMBL4087308 0.87 FFAR2 (0.34) FFAR2TRPA1HSD11B1MAOAMAOB
SCHEMBL4087306 0.87 FFAR2 (0.34) FFAR2TRPA1HSD11B1MAOAMAOB
SCHEMBL4089653 0.87 FFAR2 (0.34) FFAR2TRPA1HSD11B1MAOAMAOB
SCHEMBL4092908 0.85 FFAR2 (0.42) FFAR2TRPA1HSD11B1MAOAMAOB
SCHEMBL4093122 0.84 TRPA1 (0.38) FFAR2TRPA1HSD11B1MEN1KMT2A
SCHEMBL4521277 0.81 FFAR2 (0.36) FFAR2TRPA1YAP1TEAD4MAOA
SCHEMBL4521278 0.81 FFAR2 (0.36) FFAR2TRPA1YAP1TEAD4MAOA
SCHEMBL4520149 0.80 RIPK1 (0.45) MAOBMEN1KMT2AALDH1A1LMNA

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 FFAR2 1593/4885TRPA1 441/4885HSD11B1 194/4885

“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.