SCHEMBL6467034

SCHEMBL6467034

C=CCCCCC(O)CCCN1CCN(c2cccc3c2CCc2ccccc2C3)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.37
HTR1A P08908 9/20 0.37
DRD3 P35462 8/20 0.36
DRD4 P21917 7/20 0.36
HTR7 P34969 2/20 0.35
ADRB2 P07550 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
ADRB1 P08588 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 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
SCHEMBL6462545 0.91 DRD2 (0.39) DRD2HTR1ADRD3DRD4
SCHEMBL6463464 0.90 DRD2 (0.39) DRD2HTR1ADRD3DRD4
SCHEMBL6460817 0.84 DRD2 (0.41) DRD2HTR1ADRD3DRD4
SCHEMBL6466061 0.78 DRD2 (0.38) DRD2HTR1ADRD3
SCHEMBL6463756 0.77 DRD2 (0.42) DRD2HTR1ADRD3DRD4ADRB1
SCHEMBL6461339 0.70 ATM (0.32) DRD2HTR1ADRD3DRD4HTR7
SCHEMBL9403868 0.69 L3MBTL1 (0.58) HTR7
SCHEMBL6465693 0.68 HTR1A (0.45) DRD2HTR1ADRD3DRD4HTR7
SCHEMBL6903656 0.65 ATM (0.37) DRD2HTR1ADRD3DRD4HTR7
SCHEMBL1444940 0.64 HTR6 (0.49) DRD2HTR1ADRD3HTR7ADRB1

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-6881841-B2 Dibenzosuberanyl piperazine derivatives and drug-resistance overcoming agents containing the derivatives Takeuchi, Tsutomu (JP) 2005-04-19 US claimed
US-20040029895-A1 Dibenzosberanyl piperazine derivatives and drug-resistance overcoming agents containing the derivatives TAKAYANAGI, HIROAKI (JP) 2004-02-12 US claimed
EP-1336608-A1 DIBENZOSBERANYL PIPERAZINE DERIVATIVES AND DRUG-RESISTANCE OVERCOMING AGENTS CONTAINING THE DERIVATIVES POLA CHEMICAL INDUSTRIES, INC. (JP) 2003-08-20 EP claimed

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-20040029895-A1 Dibenzosberanyl piperazine derivatives and drug-resistance overcoming agents containing the derivatives ABCC1, ABCB1, SLC11A2 DRD2 1484/4885HTR1A 3114/4885DRD3 1857/4885

“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.