SCHEMBL24258809

SCHEMBL24258809

C=C(CCF)C(=O)N(CCOCCCOC(C)=O)c1cccc(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.35
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31

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
SCHEMBL24259047 0.85 RXRA (0.39) MTNR1AMTNR1BALDH1A1LMNATSHR
SCHEMBL24259294 0.77 MLYCD (0.37) MTNR1AMTNR1BALDH1A1LMNAMAPT
SCHEMBL24602602 0.76 LMNA (0.41) MTNR1AMTNR1BALDH1A1LMNARXFP1
SCHEMBL24259367 0.76 ALDH1A1 (0.35) MTNR1AMTNR1BALDH1A1LMNAMAPT
SCHEMBL24259121 0.73 ALDH1A1 (0.36) MTNR1AMTNR1BALDH1A1LMNAKMT2A
SCHEMBL24602625 0.72 NPC1 (0.32) MTNR1AMTNR1BALDH1A1
SCHEMBL24258994 0.71 PAX8 (0.36) MTNR1AMTNR1BALDH1A1LMNATSHR
SCHEMBL24602563 0.70 POLB (0.31) ALDH1A1MAPTKMT2A
SCHEMBL24259316 0.69 MAPT (0.36) ALDH1A1LMNATSHRMAPT
SCHEMBL24258959 0.68 NR1H4 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-05 US disclosed
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 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 (3 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-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 RAD52 4795/4885MTNR1A 555/4885MTNR1B 679/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 RAD52 4795/4885MTNR1A 555/4885MTNR1B 679/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 RAD52 4795/4885MTNR1A 555/4885MTNR1B 679/4885

“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.