SCHEMBL6465693

SCHEMBL6465693

OCC#CCN1CCN(c2cccc3c2CCc2ccccc2C3)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.45
DRD2 P14416 8/20 0.36
DRD4 P21917 4/20 0.36
DRD3 P35462 4/20 0.36
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR6 P50406 1/20 0.34
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL6461768 0.82 HTR1A (0.41) HTR1ADRD2DRD4DRD3ALDH1A1
SCHEMBL6466061 0.75 DRD2 (0.38) HTR1ADRD2DRD3ALDH1A1
SCHEMBL1444940 0.72 HTR6 (0.49) HTR1ADRD2DRD3ALDH1A1TSHR
SCHEMBL6461339 0.71 ATM (0.32) HTR1ADRD2DRD4DRD3HTR6
SCHEMBL9403868 0.71 L3MBTL1 (0.58) ALDH1A1TSHRHTR7
SCHEMBL6460817 0.71 DRD2 (0.41) HTR1ADRD2DRD4DRD3ALDH1A1
SCHEMBL5675675 0.70 DRD2 (0.41) HTR1ADRD2DRD4DRD3ALDH1A1
SCHEMBL6463756 0.70 DRD2 (0.42) HTR1ADRD2DRD4DRD3ALDH1A1
Hydrochloric Acid SCHEMBL2988937 0.69 DRD2 (0.58) HTR1ADRD2DRD4DRD3HTR7
SCHEMBL6462545 0.69 DRD2 (0.39) HTR1ADRD2DRD4DRD3ALDH1A1

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 6 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
US-6881841-B2 Dibenzosuberanyl piperazine derivatives and drug-resistance overcoming agents containing the derivatives Takeuchi, Tsutomu (JP) 2005-04-19 US disclosed
US-20040029895-A1 Dibenzosberanyl piperazine derivatives and drug-resistance overcoming agents containing the derivatives TAKAYANAGI, HIROAKI (JP) 2004-02-12 US disclosed
EP-1336608-A1 DIBENZOSBERANYL PIPERAZINE DERIVATIVES AND DRUG-RESISTANCE OVERCOMING AGENTS CONTAINING THE DERIVATIVES POLA CHEMICAL INDUSTRIES, INC. (JP) 2003-08-20 EP 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-20040029895-A1 Dibenzosberanyl piperazine derivatives and drug-resistance overcoming agents containing the derivatives ABCC1, ABCB1, SLC11A2 HTR1A 3114/4885DRD2 1484/4885DRD4 2875/4885

“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.