SCHEMBL22347182

SCHEMBL22347182

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
HDAC4 P56524 1/20 0.36
POLB P06746 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HTT P42858 7/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
ROCK2 O75116 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX12 P18054 1/20 0.33
ROCK1 Q13464 1/20 0.33
CXCR3 P49682 1/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL22347350 0.88 POLB (0.37) KDM4EHDAC4POLBHCAR2HTT
SCHEMBL22354081 0.85 KDM4E (0.35) KDM4EHTTSMN1; SMN2MEN1KMT2A
SCHEMBL25992652 0.85 KDM4E (0.32) KDM4EHDAC4
SCHEMBL22347657 0.80 GAA (0.41) HTTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL22347208 0.76
SCHEMBL22347149 0.73 HSD11B1 (0.35) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL3145935 0.72 POLB (0.37) KDM4EHDAC4POLBHCAR2HTT
SCHEMBL3145942 0.70 HTT (0.38) KDM4EHDAC4POLBHCAR2HTT
SCHEMBL26000191 0.69 HSD17B10 (0.34) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL22353619 0.68

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-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
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 KDM4E 3793/4885HDAC4 1028/4885POLB 4337/4885

“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.