SCHEMBL22347350

SCHEMBL22347350

O=C(O)C12CCC(CNc3cncc(Br)c3)(CC1)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NR1H4 Q96RI1 1/20 0.34
SMN1; SMN2 Q16637 6/20 0.34
HDAC4 P56524 1/20 0.34
HTT P42858 6/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALOX15 P16050 1/20 0.33
CASP3 P42574 1/20 0.33
ROCK2 O75116 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 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
SCHEMBL22347182 0.88 KDM4E (0.39) POLBHCAR2KDM4EMEN1KMT2A
SCHEMBL22354081 0.86 KDM4E (0.35) KDM4EMEN1KMT2ANR1H4SMN1; SMN2
SCHEMBL22347580 0.80 GAA (0.46) POLBKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL31608504 0.80 GAA (0.46) POLBKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL22347208 0.77
SCHEMBL3145935 0.76 POLB (0.37) POLBHCAR2KDM4EMEN1KMT2A
SCHEMBL22353604 0.74 ALDH1A1 (0.35) POLBHCAR2KDM4EMEN1KMT2A
SCHEMBL3145942 0.74 HTT (0.38) POLBHCAR2KDM4EMEN1KMT2A
SCHEMBL22347174 0.74 NR1H4 (0.43) NR1H4CYP2C9CYP2C19
SCHEMBL22347204 0.72 FAAH (0.40) KDM4EALDH1A1CYP3A4

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-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
EP-3924336-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP disclosed
WO-2020168143-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 (1 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-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 POLB 4337/4885HCAR2 431/4885KDM4E 3793/4885

“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.