SCHEMBL5905710

SCHEMBL5905710

CN1CCC(=C2c3ccccc3Oc3ccccc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 5/20 1.00
DRD2 P14416 6/20 0.62
CHRM2 P08172 5/20 0.62
CHRM1 P11229 5/20 0.62
ADRA1A P35348 5/20 0.62
KCNH2 Q12809 5/20 0.62
HTR1A P08908 4/20 0.62
ADRA2A P08913 4/20 0.62
DRD1 P21728 4/20 0.62
DRD3 P35462 4/20 0.62
HTR2A P28223 4/20 0.62
HTR2C P28335 4/20 0.62
HRH1 P35367 4/20 0.62
HTR2B P41595 4/20 0.62
SLC6A2 P23975 3/20 0.62
SLC6A4 P31645 3/20 0.62
SLC6A3 Q01959 3/20 0.62
CYP2D6 P10635 3/20 0.62
CYP2C19 P33261 3/20 0.62
ADRA2B P18089 3/20 0.62

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
SCHEMBL490256 0.87 SETD7 (0.76) SETD7DRD2CHRM2CHRM1ADRA1A
SCHEMBL11573091 0.87 SETD7 (0.76) SETD7DRD2CHRM2CHRM1ADRA1A
SCHEMBL11576560 0.87 SETD7 (0.76) SETD7DRD2CHRM2CHRM1ADRA1A
Clopipazan SCHEMBL1816896 0.87 SETD7 (0.76) SETD7DRD2CHRM2CHRM1ADRA1A
SCHEMBL11575486 0.85 SETD7 (0.72) SETD7DRD2CHRM2CHRM1ADRA1A
Azanator SCHEMBL2110669 0.84 SETD7 (0.71) SETD7DRD2CHRM2CHRM1ADRA1A
SCHEMBL9208700 0.84 SETD7 (0.71) SETD7DRD2CHRM2CHRM1ADRA1A
SCHEMBL3384621 0.84 SETD7 (0.71) SETD7DRD2CHRM2CHRM1ADRA1A
SCHEMBL11574720 0.84 SETD7 (0.70) SETD7DRD2CHRM2CHRM1ADRA1A
SCHEMBL11576021 0.84 SETD7 (0.70) SETD7DRD2CHRM2CHRM1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060111342-A1 Insecticidal tricyclic derivatives BAYER CROPSCIENCE AG (DE) 2006-05-25 US disclosed
EP-1538906-A2 INSECTICIDAL TRICYCLIC DERIVATIVES FMC CORPORATION (US) 2005-06-15 EP disclosed
WO-2004026030-A2 INSECTICIDAL TRICYCLIC DERIVATIVES FMC CORPORATION (US) 2004-04-01 WO disclosed
US-5416087-A Bis-benzo, cyclohepta piperidylidene, piperidine and piperazine compounds, compositions and methods of use SCHERING CORPORATION 1995-05-16 US disclosed
EP-0552245-A1 BIS-BENZO CYCLOHEPTA PIPERIDYLIDENE, PIPERIDINE AND PIPERAZINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE SCHERING CORPORATION (US) 1993-07-28 EP disclosed
WO-1992006970-A1 BIS-BENZO CYCLOHEPTA PIPERIDYLIDENE, PIPERIDINE AND PIPERAZINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE SCHERING CORPORATION (US) 1992-04-30 WO disclosed
US-4072756-A Tricyclo piperidino ketones and soporific compositions thereof SANDOZ LTD. (CH) 1978-02-07 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-20060111342-A1 Insecticidal tricyclic derivatives DDT, ACHE, ODC1 SETD7 1641/4885DRD2 368/4885CHRM2 55/4885

“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.