SCHEMBL22348346

SCHEMBL22348346

O=C(O)[C@H]1CC[C@@](O)(C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.39
LMNA P02545 3/20 0.39
GRM2 Q14416 2/20 0.39
GRM3 Q14832 2/20 0.39
GRM4 Q14833 2/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 2/20 0.39
ALOX15 P16050 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
GRM5 P41594 1/20 0.39
MTOR P42345 1/20 0.39
GRM1 Q13255 1/20 0.39
PLCB1 Q9NQ66 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 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
SCHEMBL16336444 1.00 CYP2C19 (0.39) CYP2C19LMNAGRM2GRM3GRM4
SCHEMBL709793 1.00 CYP2C19 (0.39) CYP2C19LMNAGRM2GRM3GRM4
SCHEMBL15684228 0.88 CYP2C19 (0.46) CYP2C19LMNAGRM2GRM3GRM4
SCHEMBL30298830 0.81 PDK2 (0.36) CYP2C19LMNAGRM2GRM3GRM4
SCHEMBL26631347 0.77 CYP2C19 (0.50) CYP2C19LMNAGRM2GRM3GRM4
SCHEMBL710044 0.77 CYP2C19 (0.50) CYP2C19LMNAGRM2GRM3GRM4
SCHEMBL31214195 0.76 CYP1A2 (0.39) CYP2C19LMNAGRM2GRM3GRM4
Hydrochloric Acid SCHEMBL27035460 0.75 GRM2 (0.46) CYP2C19LMNAGRM2GRM3GRM4
SCHEMBL12971036 0.74 TSHR (0.46) CYP2C19LMNAGRM2GRM3GRM4
SCHEMBL26906347 0.74 TSHR (0.33) TSHRHSD11B1

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-20230109670-A9 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-04-06 US disclosed
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-26 US disclosed
EP-3924337-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP disclosed
CN-113677666-A Substituted bicyclic compounds as farnesoid X receptor modulators 百时美施贵宝公司 2021-11-19 CN 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 (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-20230109670-A9 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 CYP2C19 1139/4885LMNA 3646/4885GRM2 1024/4885
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 CYP2C19 1139/4885LMNA 3646/4885GRM2 1024/4885

“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.