SCHEMBL22352807

SCHEMBL22352807

CCOc1ncc(-c2cccc(NCCCCCc3nc(C(C)(C)C)no3)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 13/20 0.41
MAPT P10636 3/20 0.36
THRB P10828 1/20 0.36
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
NR1I2 O75469 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL22352680 0.88 MAPT (0.44) NR1H4MAPTTHRBHTT
SCHEMBL22352803 0.83 NR1H4 (0.41) NR1H4MAPTTHRBNR1I2CYP2C9
SCHEMBL22352983 0.79 CNR2 (0.35) MAPTCNR1CNR2HTT
SCHEMBL22352723 0.78 DRD4 (0.38) MAPTCNR1CNR2
SCHEMBL24452459 0.76 NR1H4 (0.41) NR1H4CNR1CNR2NR1I2CYP2C9
SCHEMBL24451788 0.76 STAT1 (0.33) NR1H4MAPTCNR1CNR2
SCHEMBL24259552 0.75 GABRA1 (0.35) MAPTHTTNPSR1
SCHEMBL22353966 0.75 NR1H4 (0.43) NR1H4MAPTCNR2NR1I2CYP2C9
SCHEMBL22347862 0.74 NR1H4 (0.59) NR1H4NR1I2CYP2C9CYP2C19
SCHEMBL24259461 0.74 GAA (0.40) NR1H4MAPTHTTNPSR1

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 4 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
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 (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 2/4885MAPT 398/4885THRB 136/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885MAPT 398/4885THRB 136/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885MAPT 398/4885THRB 136/4885

“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.