SCHEMBL20944231

SCHEMBL20944231

COC(=O)c1cc(C#N)cc(OC(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
SCN2A Q99250 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
FPR2 P25090 1/20 0.36
SCN9A Q15858 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
GPR35 Q9HC97 1/20 0.35
EGLN2 Q96KS0 1/20 0.34
ACACB O00763 2/20 0.34
XDH P47989 1/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL30744990 0.85 KDM4E (0.50) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL20944381 0.85 KDM4E (0.50) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL1505481 0.79 NQO2 (0.46) LMNAMAPK8MAPK9KDM4EALDH1A1
SCHEMBL20944473 0.78 HCRTR1 (0.44) FPR2KDM4EALDH1A1GAAHPGD
SCHEMBL1505514 0.78 NQO2 (0.39) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL20944369 0.77 KDM4E (0.47) LMNAKDM4EALDH1A1GAAMAPK1
SCHEMBL20944584 0.76 HCRTR1 (0.40) KDM4EALDH1A1GAAHPGDMAPK1
SCHEMBL20944049 0.76 MAPT (0.39) LMNAKDM4EALDH1A1HPGDEGLN2
SCHEMBL20944290 0.74 NQO2 (0.39) LMNASCN9AKDM4EALDH1A1GAA
SCHEMBL30745067 0.74 NQO2 (0.39) LMNASCN9AKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704113-B1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-10-11 EP disclosed
EP-3704113-B1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-10-11 EP disclosed
EP-3704113-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2020-09-09 EP disclosed
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
US-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 US disclosed
US-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 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-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, NR1H2 LMNA 3656/4885SCN2A 4677/4885SCN10A 3902/4885
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 LMNA 3656/4885SCN2A 4677/4885SCN10A 3902/4885

“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.