SCHEMBL4190675

SCHEMBL4190675

CN1CC(=O)Oc2ccc(CC3CCCN(C(=O)OC(C)(C)C)C3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.44
CTSD P07339 1/20 0.44
FEN1 P39748 1/20 0.41
USP30 Q70CQ3 2/20 0.40
ACKR3 P25106 1/20 0.40
HTR6 P50406 3/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
BCHE P06276 1/20 0.39
CYP2C9 P11712 1/20 0.39
KDM1A O60341 1/20 0.39
SCN9A Q15858 1/20 0.39
GLS O94925 1/20 0.38
KAT7 O95251 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
METTL3 Q86U44 1/20 0.38
IRAK1 P51617 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 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
SCHEMBL4186610 0.86 EED (0.38) MEN1ALDH1A1MAPTKMT2A
SCHEMBL4182378 0.83 CYP2C9 (0.42) BACE1CTSDFEN1USP30ACKR3
SCHEMBL4184892 0.82 GPR119 (0.45)
SCHEMBL2391354 0.78 ACKR3 (0.44) BACE1CTSDFEN1USP30ACKR3
SCHEMBL29347992 0.77 GPR119 (0.53) BACE1CTSDFEN1ACKR3ITGB1
SCHEMBL4149104 0.76 CCR3 (0.51) ACKR3SCN9AKAT7KAT8ALDH1A1
SCHEMBL21358915 0.76 CCR3 (0.51) ACKR3SCN9AKAT7KAT8ALDH1A1
SCHEMBL22036273 0.76 MEN1 (0.53) BACE1CTSDFEN1ACKR3HTR6
SCHEMBL5582903 0.76 BACE1 (0.50) BACE1CTSDFEN1USP30ACKR3
SCHEMBL8237687 0.75 ACKR3 (0.57) FEN1USP30ACKR3HTR6BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 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-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS HTR5A, CRH, CYP17A1 BACE1 2447/4885CTSD 1503/4885FEN1 3794/4885

“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.