SCHEMBL24259059

SCHEMBL24259059

CC(C)(C)c1noc(CCCCCNc2cncc(-c3nc(C4CC4)no3)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.36
CNR2 P34972 6/20 0.35
NR1I2 O75469 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CNR1 P21554 1/20 0.33
KDR P35968 5/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2C P28335 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
CDK1 P06493 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
SCHEMBL24452459 0.88 NR1H4 (0.41) NR1H4CNR2NR1I2CYP2C9CYP2C19
SCHEMBL24451774 0.87 NR1H4 (0.35) NR1H4CNR2NR1I2CYP2C9CYP2C19
SCHEMBL22353820 0.84 NR1I2 (0.35) NR1H4CNR2NR1I2CYP2C9CYP2C19
SCHEMBL22353536 0.81 CNR2 (0.35) NR1H4CNR2NR1I2CYP2C9CYP2C19
SCHEMBL24259317 0.79 CNR2 (0.34) CNR2CNR1
SCHEMBL24259027 0.78 L3MBTL1 (0.33) CNR2CNR1
SCHEMBL22352695 0.78 POLB (0.43) NR1H4CNR2NR1I2CYP2C9CYP2C19
SCHEMBL24259014 0.78 KDR (0.38) NR1H4CNR2KDRNPC1RAB9A
SCHEMBL24451788 0.77 STAT1 (0.33) NR1H4CNR2CNR1NPC1RAB9A
SCHEMBL22347670 0.75 NR1H4 (0.51) NR1H4NR1I2CYP2C9CYP2C19

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 2/4885CNR2 631/4885NR1I2 8/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885CNR2 631/4885NR1I2 8/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885CNR2 631/4885NR1I2 8/4885

“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.