SCHEMBL22358183

SCHEMBL22358183

CCOc1ccc(-c2noc(C3CCN(C(=O)[C@H]4CCN(C(=O)c5ccccc5)C4)CC3)n2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
TSHR P16473 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MEN1 O00255 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
SMO Q99835 2/20 0.51
LMNA P02545 2/20 0.51
USP2 O75604 1/20 0.51
HPGD P15428 1/20 0.50
HSD11B1 P28845 1/20 0.50
NPC1 O15118 1/20 0.48
GRM5 P41594 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL22357969 0.96 HTT (0.55) HTTTSHRL3MBTL1MEN1CYP3A4
SCHEMBL22358514 0.87 TLR9 (0.55) HTTTSHRL3MBTL1MEN1CYP3A4
SCHEMBL20116337 0.85 TP53 (0.51) HTTTSHRL3MBTL1MEN1CYP3A4
SCHEMBL20116332 0.85 TP53 (0.51) HTTTSHRL3MBTL1MEN1CYP3A4
SCHEMBL20116261 0.85 TP53 (0.51) HTTTSHRL3MBTL1MEN1CYP3A4
SCHEMBL21609973 0.85 SMO (0.55) HTTTSHRL3MBTL1MEN1CYP3A4
SCHEMBL22357775 0.83 SMO (0.55) HTTTSHRL3MBTL1MEN1CYP3A4
SCHEMBL20116346 0.82 MEN1 (0.56) HTTTSHRL3MBTL1MEN1CYP3A4
SCHEMBL20116107 0.82 TSHR (0.53) HTTTSHRL3MBTL1MEN1CYP3A4
SCHEMBL20116550 0.82 SMO (0.53) HTTTSHRL3MBTL1MEN1CYP3A4

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-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 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 (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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 HTT 6/4885TSHR 4679/4885L3MBTL1 3366/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 HTT 6/4885TSHR 4679/4885L3MBTL1 3366/4885

“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.