SCHEMBL5918366

SCHEMBL5918366

COc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1ccccc1N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 13/20 1.00
DRD2 P14416 6/20 0.72
DRD4 P21917 6/20 0.72
DRD3 P35462 5/20 0.72
HRH1 P35367 3/20 0.61
HTR3E A5X5Y0 2/20 0.61
MEN1 O00255 2/20 0.61
HTR3B O95264 2/20 0.61
ABCB11 O95342 2/20 0.61
LMNA P02545 2/20 0.61
ADRB2 P07550 2/20 0.61
CHRM2 P08172 2/20 0.61
CHRM4 P08173 2/20 0.61
HTR1A P08908 2/20 0.61
CHRM5 P08912 2/20 0.61
ADRA2A P08913 2/20 0.61
ADRA2B P18089 2/20 0.61
ADRA2C P18825 2/20 0.61
CHRM3 P20309 2/20 0.61
DRD1 P21728 2/20 0.61

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
SCHEMBL142771 0.86 CHRM1 (0.76) CHRM1DRD2DRD4DRD3HRH1
SCHEMBL14365315 0.84 DRD4 (0.76) CHRM1DRD2DRD4DRD3HRH1
SCHEMBL3413080 0.84 CHRM1 (1.00) CHRM1DRD2DRD4DRD3HRH1
SCHEMBL29470861 0.84 DRD2 (1.00) CHRM1DRD2DRD4DRD3HRH1
SCHEMBL141020 0.84 DRD2 (1.00) CHRM1DRD2DRD4DRD3HRH1
Isoclozapine SCHEMBL140207 0.83 CHRM1 (1.00) CHRM1DRD2DRD4DRD3HRH1
SCHEMBL9094636 0.83 CHRM1 (1.00) CHRM1DRD2DRD4DRD3HRH1
Isoclozapine SCHEMBL29822724 0.83 CHRM1 (1.00) CHRM1DRD2DRD4DRD3HRH1
SCHEMBL5557955 0.81 DRD2 (0.74) CHRM1DRD2DRD4DRD3HRH1
SCHEMBL5563810 0.81 CHRM1 (0.70) CHRM1DRD2DRD4DRD3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060069083-A1 Pesticidal dibenzo(hetero)azepine derivatives BASF AKTIENGESELLSCHAFT (DE) 2006-03-30 US disclosed
EP-1578198-A1 PESTICIDAL DIBENZO(HETERO)AZEPINE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2005-09-28 EP disclosed
WO-2004056182-A1 PESTICIDAL DIBENZO(HETERO)AZEPINE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-07-08 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-20060069083-A1 Pesticidal dibenzo(hetero)azepine derivatives GLRA3, DDT, NR2E1 CHRM1 270/4885DRD2 84/4885DRD4 298/4885

“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.