SCHEMBL24259145

SCHEMBL24259145

C=CC(CCCc1cc(C(F)(F)F)ccn1)CN(C(=O)C(=C)CCF)c1cccc(-c2ccnc(OC)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.43
PLCG1 P19174 1/20 0.36
LTB4R2 Q9NPC1 2/20 0.33
SRPK1 Q96SB4 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
POLQ O75417 1/20 0.31
MMP1 P03956 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
ADAM17 P78536 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
SCHEMBL24259291 0.85 NR1H4 (0.46) NR1H4SUCNR1
SCHEMBL24259503 0.79 NR1H4 (0.43) NR1H4LTB4R2SUCNR1
SCHEMBL24258829 0.74 NR1H4 (0.41) NR1H4PLCG1POLQ
SCHEMBL24259277 0.73 NR1H4 (0.40) NR1H4PLCG1
SCHEMBL24259134 0.71 NR1H4 (0.50) NR1H4
SCHEMBL24259043 0.70 NR1H4 (0.38) NR1H4PLCG1
SCHEMBL24258731 0.70 FAAH (0.37) NR1H4LTB4R2SUCNR1
SCHEMBL24259321 0.69 NR1H4 (0.41) NR1H4
SCHEMBL24258768 0.66 CRY1 (0.32)
SCHEMBL24259053 0.65 CNR1 (0.42) NR1H4

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 NR1H4 2/4885PLCG1 1826/4885LTB4R2 216/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885PLCG1 1826/4885LTB4R2 216/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885PLCG1 1826/4885LTB4R2 216/4885

“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.