SCHEMBL24259027

SCHEMBL24259027

Brc1cncc(NCCCCCc2nc(C3CC3)no2)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
LMNA P02545 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
PDE10A Q9Y233 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL22353788 0.84 MTNR1A (0.38) L3MBTL1MTNR1AMTNR1BCNR1CNR2
SCHEMBL24259317 0.79 CNR2 (0.34) CNR1CNR2SIRT2
SCHEMBL24259059 0.78 NR1H4 (0.36) CNR1CNR2
SCHEMBL22352695 0.77 POLB (0.43) L3MBTL1MTNR1AMTNR1BCNR2LMNA
SCHEMBL22353628 0.77 ITGB3 (0.35) L3MBTL1MTNR1AMTNR1BCNR1CNR2
SCHEMBL24258755 0.74 NR1H4 (0.39) L3MBTL1MTNR1AMTNR1BLMNA
SCHEMBL24259058 0.73 HDAC1 (0.40) L3MBTL1MTNR1AMTNR1BLMNAMEN1
SCHEMBL24259248 0.73 ALOX5AP (0.35) L3MBTL1MTNR1AMTNR1BCNR1CNR2
SCHEMBL24452455 0.71 MTNR1A (0.50) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL24451785 0.71 MTNR1A (0.35) L3MBTL1MTNR1AMTNR1BCNR2LMNA

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 L3MBTL1 4270/4885MTNR1A 555/4885MTNR1B 679/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 L3MBTL1 4270/4885MTNR1A 555/4885MTNR1B 679/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 L3MBTL1 4270/4885MTNR1A 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.