SCHEMBL5840240

SCHEMBL5840240

CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cn(C(=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
ACHE P22303 1/20 0.49
EED O75530 1/20 0.42
USP30 Q70CQ3 1/20 0.42
EPHX1 P07099 1/20 0.39
SLC6A3 Q01959 1/20 0.38
SLC18A2 Q05940 1/20 0.38
ATM Q13315 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PIM1 P11309 1/20 0.37
MARK3 P27448 1/20 0.37
MAP4K2 Q12851 1/20 0.37
CAMK2B Q13554 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL5840448 0.86 L3MBTL1 (0.53) L3MBTL1ACHEEPHX1PIM1MARK3
SCHEMBL5806807 0.86 L3MBTL1 (0.53) L3MBTL1ACHEEPHX1PIM1MARK3
SCHEMBL5840377 0.81 L3MBTL1 (0.53) L3MBTL1ACHEEPHX1ATMMEN1
SCHEMBL1896746 0.78 USP30 (0.51) L3MBTL1USP30ATMSIGMAR1ALDH1A1
SCHEMBL29960489 0.75 TBXA2R (0.51) L3MBTL1USP30ATMSIGMAR1ALDH1A1
SCHEMBL31450059 0.75 USP30 (0.50) L3MBTL1USP30ATMSIGMAR1ALDH1A1
SCHEMBL3137963 0.75 USP30 (0.41) L3MBTL1USP30ATMSIGMAR1ALDH1A1
SCHEMBL3137956 0.75 USP30 (0.41) L3MBTL1USP30ATMSIGMAR1ALDH1A1
SCHEMBL5839366 0.75 RORC (0.55) L3MBTL1USP30SLC6A3SLC18A2ATM
SCHEMBL3449300 0.75 RORC (0.55) L3MBTL1USP30SLC6A3SLC18A2ATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138423-B2 Diseases mediated by tachykinins and for seritonin reuptake transporter protein as reuptake inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-21 US disclosed
US-20060020011-A1 Arylpyrrolidine derivatives as NK-1 /SSRI antagonists BRISTOL-MEYERS SQUIBB COMPANY 2006-01-26 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 (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-20060020011-A1 Arylpyrrolidine derivatives as NK-1 /SSRI antagonists TPH1, SLC6A4, HTR1D L3MBTL1 2793/4885ACHE 2993/4885EED 4080/4885

“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.