SCHEMBL4092908

SCHEMBL4092908

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 2/20 0.42
HSD11B1 P28845 3/20 0.39
THRB P10828 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPA1 O75762 1/20 0.39
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ACE P12821 2/20 0.36
MME P08473 1/20 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
SCHEMBL4521461 0.89 FFAR2 (0.38) FFAR2HSD11B1KMT2ATRPA1MAOA
SCHEMBL4521465 0.89 FFAR2 (0.38) FFAR2HSD11B1KMT2ATRPA1MAOA
SCHEMBL4509292 0.88 FFAR2 (0.43) FFAR2KMT2AACEMME
SCHEMBL4097126 0.85 FFAR2 (0.43) FFAR2HSD11B1KMT2ATRPA1MAOA
SCHEMBL4093122 0.84 TRPA1 (0.38) FFAR2HSD11B1KMT2ATRPA1
SCHEMBL4512180 0.84 FFAR2 (0.33) FFAR2KMT2AACE
SCHEMBL4087306 0.82 FFAR2 (0.34) FFAR2HSD11B1TRPA1MAOAMAOB
SCHEMBL4087308 0.82 FFAR2 (0.34) FFAR2HSD11B1TRPA1MAOAMAOB
SCHEMBL4089653 0.82 FFAR2 (0.34) FFAR2HSD11B1TRPA1MAOAMAOB
SCHEMBL4337937 0.77 TRPA1 (0.40) FFAR2THRBALOX12KMT2ATRPA1

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 1 patent. 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

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 1593/4885HSD11B1 194/4885THRB 3017/4885

“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.