SCHEMBL24258886

SCHEMBL24258886

COC(=O)CCCCCNc1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MCHR1 Q99705 1/20 0.46
HSD17B10 Q99714 4/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ALOX15 P16050 1/20 0.41
CASP7 P55210 1/20 0.41
MTNR1A P48039 1/20 0.41

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
SCHEMBL4833263 0.89 ALDH1A1 (0.50) LMNAMAPTALDH1A1MCHR1HSD17B10
Hydrochloric Acid SCHEMBL4833254 0.88 ALDH1A1 (0.49) LMNAMAPTALDH1A1MCHR1HSD17B10
SCHEMBL11404912 0.84 MAPT (0.45) LMNAMAPTALDH1A1HSD17B10GAA
SCHEMBL5712396 0.83 ALDH1A1 (0.47) LMNAMAPTALDH1A1HSD17B10PDK1
SCHEMBL11115889 0.81 EPHX2 (0.54) LMNAMAPTALDH1A1HSD17B10GAA
SCHEMBL9779966 0.81 ALDH1A1 (0.58) LMNAMAPTALDH1A1MCHR1HSD17B10
SCHEMBL22350388 0.80 LMNA (0.50) LMNAMAPTALDH1A1HSD17B10GAA
SCHEMBL3476587 0.79 ABL1 (0.47) MAPTALDH1A1MCHR1PDK1PDK2
SCHEMBL1472555 0.79 LMNA (0.66) LMNAMAPTALDH1A1HSD17B10GAA
SCHEMBL11121506 0.78 HDAC3 (0.54) LMNAMAPTALDH1A1HSD17B10GAA

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 LMNA 4193/4885MAPT 398/4885ALDH1A1 2862/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 LMNA 4193/4885MAPT 398/4885ALDH1A1 2862/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 LMNA 4193/4885MAPT 398/4885ALDH1A1 2862/4885

“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.