SCHEMBL22397129

SCHEMBL22397129

OC=C(Cl)c1cccnc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.40
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
LMNA P02545 2/20 0.33
NAPRT Q6XQN6 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DHODH Q02127 3/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.31
ELANE P08246 1/20 0.31
MEN1 O00255 1/20 0.31
GMNN O75496 1/20 0.31
TTR P02766 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 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
SCHEMBL30688571 1.00 HDAC6 (0.40) HDAC6HCRTR1HCRTR2LMNANAPRT
SCHEMBL23496140 1.00 HDAC6 (0.40) HDAC6HCRTR1HCRTR2LMNANAPRT
SCHEMBL24314845 0.80 HDAC6 (0.43) HDAC6HCRTR1HCRTR2LMNANAPRT
SCHEMBL2148942 0.79 HDAC6 (0.48) HDAC6HCRTR1HCRTR2LMNANAPRT
SCHEMBL30477668 0.79 HDAC6 (0.48) HDAC6HCRTR1HCRTR2LMNANAPRT
SCHEMBL13444501 0.76 HDAC6 (0.40) HDAC6HCRTR1HCRTR2LMNANAPRT
SCHEMBL27764496 0.74 HDAC6 (0.50) HDAC6HCRTR1HCRTR2LMNANAPRT
SCHEMBL3878890 0.74 HDAC6 (0.50) HDAC6HCRTR1HCRTR2LMNANAPRT
SCHEMBL29488337 0.73 NAPRT (0.58) HDAC6HCRTR1HCRTR2LMNANAPRT
SCHEMBL2312138 0.73 HDAC6 (0.43) HDAC6HCRTR1HCRTR2LMNANAPRT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111630051-B Olefin spiro compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-12-26 CN disclosed
EP-3704112-B1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-09-27 EP disclosed
US-11286252-B2 Alkene spirocyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-03-29 US disclosed
US-20210179599-A1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-06-17 US disclosed
EP-3704112-A1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2020-09-09 EP disclosed
CN-111630051-A Spirocyclic compounds of alkenes as farnesoid X receptor modulators 百时美施贵宝公司 2020-09-04 CN 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-11286252-B2 Alkene spirocyclic compounds as farnesoid X receptor modulators NR1H2, NR1H4, NR1H3 HDAC6 1096/4885HCRTR1 2037/4885HCRTR2 1779/4885
US-20210179599-A1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H2, NR1H4, NR1H3 HDAC6 1096/4885HCRTR1 2037/4885HCRTR2 1779/4885

“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.