SCHEMBL24602575

SCHEMBL24602575

Cc1nc(CCCCCO)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.39
CHRM2 P08172 4/20 0.32
CHRM4 P08173 4/20 0.32
CHRM5 P08912 4/20 0.32
CHRM1 P11229 4/20 0.32
CHRM3 P20309 4/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
LMNA P02545 3/20 0.31
PGR P06401 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAOA P21397 1/20 0.31
TBXA2R P21731 1/20 0.31
MAPK1 P28482 1/20 0.31
AVPR2 P30518 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR2B P41595 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
SCHEMBL991159 0.90 CHRM2 (0.36) PIK3CGCHRM2CHRM4CHRM5CHRM1
SCHEMBL16276022 0.78 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14297499 0.78 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24259044 0.77 PIK3CG (0.34) PIK3CGCHRM2CHRM4CHRM5CHRM1
SCHEMBL6206207 0.76 L3MBTL1 (0.35) PIK3CGCHRM2CHRM4CHRM5CHRM1
SCHEMBL24259360 0.75 PIK3CG (0.33) PIK3CG
SCHEMBL24602593 0.74 TSHR (0.33) TSHR
SCHEMBL24259585 0.74 PIK3CG (0.33) PIK3CG
SCHEMBL13247900 0.73 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24452460 0.73 HDAC4 (0.41) PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
US-20220213026-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-07-07 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-20220213026-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 PIK3CG 3023/4885CHRM2 173/4885CHRM4 193/4885
US-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators FXR1, NR1H4, FXR2 PIK3CG 3023/4885CHRM2 173/4885CHRM4 193/4885

“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.