SCHEMBL24258731

SCHEMBL24258731

C=C(CCF)C(=O)N(CCCCCc1cc(C(F)(F)F)ccn1)c1cccc(-c2cnc(CCC)o2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.37
CES1 P23141 1/20 0.37
NR1H4 Q96RI1 4/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
MAPT P10636 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
LTC4S Q16873 1/20 0.32
LTB4R2 Q9NPC1 2/20 0.31
SUCNR1 Q9BXA5 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
RXRA P19793 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
SCHEMBL22353821 0.90 FAAH (0.38) FAAHCES1NR1H4HDAC1HDAC6
SCHEMBL24258887 0.79 NR1H4 (0.53) NR1H4HDAC1HDAC6HDAC3HDAC4
SCHEMBL22353726 0.75 HDAC1 (0.39) FAAHCES1HDAC1HDAC6HDAC3
SCHEMBL24259064 0.75 NR1H4 (0.43) NR1H4HDAC1HDAC6HDAC8HDAC5
SCHEMBL24259427 0.72 NR1H4 (0.47) NR1H4HDAC1HDAC6HDAC8HDAC5
SCHEMBL24259043 0.71 NR1H4 (0.38) NR1H4HDAC1HDAC6MAPTHDAC3
SCHEMBL22353766 0.71 NR1H4 (0.44) NR1H4
SCHEMBL24258829 0.71 NR1H4 (0.41) NR1H4HDAC1HDAC6MAPTHDAC8
SCHEMBL24258791 0.70 NR1H4 (0.39) FAAHNR1H4MAPT
SCHEMBL24259145 0.70 NR1H4 (0.43) NR1H4LTB4R2SUCNR1

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 FAAH 2934/4885CES1 424/4885NR1H4 2/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 FAAH 2934/4885CES1 424/4885NR1H4 2/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 FAAH 2934/4885CES1 424/4885NR1H4 2/4885

“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.