SCHEMBL312184

SCHEMBL312184

CCC(CCCO)C(N)=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.72
CA1 P00915 4/20 0.72
MAPK1 P28482 1/20 0.45
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 3/20 0.34
CYP3A4 P08684 2/20 0.34
NFKB1 P19838 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
SLC1A2 P43004 4/20 0.34

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
SCHEMBL4255669 0.86
SCHEMBL11677928 0.86 CA2 (0.55) CA2CA1MAPK1
SCHEMBL27970138 0.85 CA2 (0.50) CA2CA1MAPK1CHRM1AKR1A1
SCHEMBL11861708 0.84 CA2 (0.53) CA2CA1MAPK1
SCHEMBL7038841 0.84 CA2 (1.00) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL376915 0.84 CA2 (1.00) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL20145272 0.83
SCHEMBL18664252 0.83
SCHEMBL276427 0.83
SCHEMBL1537431 0.82 CA2 (0.95) CA2CA1MAPK1SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383865-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 Bayer Pharma Aktiengesellschaft (DE) 2018-10-10 EP disclosed
WO-2017093272-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-08 WO disclosed
US-8093237-B2 11-(piperazin-1-yl)dibenzo[b,f][1,4]oxazapine compounds; psychological disorders, sleep disorders; antipsychotic agents that modulate monoaminergic neurotransmitter receptor subtypes; side effect reduction ARYX THERAPEUTICS, INC. (US) 2012-01-10 US disclosed
US-20080255088-A1 DIBENZO[b,f][1,4]OXAZAPINE COMPOUNDS PROTOCELL THERAPEUTICS INC. 2008-10-16 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-20080255088-A1 DIBENZO[b,f][1,4]OXAZAPINE COMPOUNDS DBH, DRD4, PSEN1 CA2 4707/4885CA1 3287/4885MAPK1 2844/4885

“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.