SCHEMBL5840377

SCHEMBL5840377

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
EPHX1 P07099 1/20 0.41
ACHE P22303 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
PIM1 P11309 1/20 0.40
MARK3 P27448 1/20 0.40
MAP4K2 Q12851 1/20 0.40
CAMK2B Q13554 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 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
SCHEMBL5806807 0.84 L3MBTL1 (0.53) L3MBTL1EPHX1ACHEBRD4CREBBP
SCHEMBL5840448 0.84 L3MBTL1 (0.53) L3MBTL1EPHX1ACHEBRD4CREBBP
SCHEMBL5840240 0.81 L3MBTL1 (0.49) L3MBTL1EPHX1ACHEPIM1MARK3
SCHEMBL587407 0.74 L3MBTL1 (0.53) L3MBTL1EPHX1ACHEBRD4CREBBP
SCHEMBL17486616 0.72 MAPT (0.47) L3MBTL1MAPTPKMMEN1KMT2A
SCHEMBL17485274 0.72 MAPT (0.47) L3MBTL1MAPTPKMMEN1KMT2A
SCHEMBL1196432 0.72 L3MBTL1 (0.62) L3MBTL1EPHX1ACHEBRD4CREBBP
SCHEMBL8560375 0.72 L3MBTL1 (0.67) L3MBTL1MAPTEPHX1MEN1KMT2A
SCHEMBL5805921 0.71 L3MBTL1 (0.47) L3MBTL1EPHX1ACHEBRD4CREBBP
SCHEMBL5840385 0.71 MAPT (0.44) MAPTPKM

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 2793/4885MAPT 2859/4885PKM 129/4885

“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.