SCHEMBL22352802

SCHEMBL22352802

COC(=O)CCCCc1ncc(C)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.45
HDAC2 Q92769 5/20 0.45
HDAC3 O15379 4/20 0.45
HDAC4 P56524 4/20 0.45
HDAC7 Q8WUI4 4/20 0.45
HDAC10 Q969S8 4/20 0.45
HDAC11 Q96DB2 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
HDAC9 Q9UKV0 4/20 0.45
HDAC5 Q9UQL6 4/20 0.45
FAAH O00519 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 2/20 0.41
CCNE2 O96020 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
PDE3B Q13370 1/20 0.38

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
SCHEMBL12307578 0.79 CCNE1 (0.42) HPGDCCNE2CDK4CCND1CCNE1
SCHEMBL13189035 0.78 HDAC1 (0.42) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3054236 0.77 HDAC1 (0.72) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7368514 0.75 HDAC1 (0.79) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL24259077 0.75 TSHR (0.44) HPGDTSHRPDE3BPDE3AP2RY12
SCHEMBL3041199 0.74 FAAH (0.59) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL24258780 0.74 FAAH (0.39) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4632525 0.74 RXRA (0.54) FAAHHPGDTSHRCCNE2CDK4
SCHEMBL10247702 0.73 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4664039 0.72 NR4A2 (0.41) HDAC1HDAC2HDAC3HDAC4HDAC7

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 5 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-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-26 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
WO-2020168148-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO 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 (4 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 HDAC1 998/4885HDAC2 1068/4885HDAC3 608/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 HDAC1 998/4885HDAC2 1068/4885HDAC3 608/4885
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 HDAC1 1921/4885HDAC2 1719/4885HDAC3 1125/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 HDAC1 998/4885HDAC2 1068/4885HDAC3 608/4885

“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.