SCHEMBL4185902

SCHEMBL4185902

CC(C)(C)OC(=O)N1CCC(Oc2ccc3c(c2)NC(=O)CC3)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.53
GPR119 Q8TDV5 5/20 0.52
ALK Q9UM73 1/20 0.49
DRD2 P14416 3/20 0.48
ADRA1D P25100 3/20 0.48
SLC6A4 P31645 3/20 0.48
ADRA1A P35348 3/20 0.48
ADRA1B P35368 3/20 0.48
DDB1 Q16531 2/20 0.47
CRBN Q96SW2 2/20 0.47
CHEK2 O96017 1/20 0.47
KDM1A O60341 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL429773 0.92 HRH3 (0.55) HRH3GPR119ALKDDB1CRBN
SCHEMBL4196140 0.85 DRD2 (0.50) DRD2ADRA1DSLC6A4ADRA1AADRA1B
SCHEMBL30645947 0.83 DRD2 (0.43) HRH3DRD2ADRA1DSLC6A4ADRA1A
SCHEMBL4180037 0.82 HRH3 (0.54) HRH3GPR119ALKCHEK2PRMT5
SCHEMBL15545122 0.81 CRBN (0.44) HRH3GPR119DDB1CRBN
SCHEMBL30645785 0.80 DDB1 (0.40) DRD2ADRA1DSLC6A4ADRA1AADRA1B
SCHEMBL974325 0.80 HRH3 (0.60) HRH3GPR119ALKCHEK2KDM1A
SCHEMBL31414533 0.79 DRD2 (0.40) HRH3DRD2ADRA1DSLC6A4ADRA1A
SCHEMBL30645741 0.79 MAOB (0.41) DRD2ADRA1DSLC6A4ADRA1AADRA1B
SCHEMBL30831101 0.78 DDB1 (0.54) HRH3GPR119ALKDDB1CRBN

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-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 US disclosed
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 US disclosed
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 US disclosed
WO-2008150848-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2008-12-11 WO disclosed
WO-2008150848-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2008-12-11 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-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS HTR5A, CRH, CYP17A1 HRH3 618/4885GPR119 100/4885ALK 3716/4885

“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.