SCHEMBL20944290

SCHEMBL20944290

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.39
GPR35 Q9HC97 2/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
EGLN2 Q96KS0 2/20 0.36
CYP11B2 P19099 2/20 0.35
CYP11B1 P15538 1/20 0.35
MAPK1 P28482 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
SCN9A Q15858 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 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
SCHEMBL30745067 1.00 NQO2 (0.39) NQO2GPR35KDM4EALDH1A1HPGD
SCHEMBL30744990 0.78 KDM4E (0.50) GPR35KDM4EALDH1A1HPGDGAA
SCHEMBL20944381 0.78 KDM4E (0.50) GPR35KDM4EALDH1A1HPGDGAA
SCHEMBL3510503 0.75 ALOX15 (0.44) NQO2KDM4EALDH1A1HPGDMAPK1
SCHEMBL20944312 0.75 MAPT (0.39) GPR35KDM4EALDH1A1HPGDGAA
SCHEMBL30744980 0.75 MAPT (0.39) GPR35KDM4EALDH1A1HPGDGAA
SCHEMBL3512816 0.74 NQO2 (0.40) NQO2KDM4EALDH1A1HPGDGAA
SCHEMBL20944231 0.74 LMNA (0.47) GPR35KDM4EALDH1A1HPGDGAA
SCHEMBL30744985 0.74 TSHR (0.41) GPR35KDM4EALDH1A1HPGDGAA
SCHEMBL3407196 0.73 MEN1 (0.49) NQO2KDM4EALDH1A1MAPK1LMNA

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 6 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
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 NQO2 4568/4885GPR35 62/4885KDM4E 3658/4885
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 NQO2 4568/4885GPR35 62/4885KDM4E 3658/4885

“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.