SCHEMBL6461768

SCHEMBL6461768

CC(=O)OCC#CCN1CCN(c2cccc3c2CCc2ccccc2C3)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.41
DRD2 P14416 5/20 0.38
DRD4 P21917 3/20 0.38
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL6465693 0.82 HTR1A (0.45) HTR1ADRD2DRD4TMEM97SIGMAR1
SCHEMBL7269404 0.77 KDM4E (0.53) HTR1ADRD2DRD4KDM4ETDP1
SCHEMBL14361245 0.71 CHRM1 (0.44) KDM4ETDP1MEN1ALDH1A1HTT
SCHEMBL14361240 0.69 NPSR1 (0.41) KDM4ETDP1MEN1ALDH1A1HTT
SCHEMBL6466061 0.68 DRD2 (0.38) HTR1ADRD2MEN1ALDH1A1HTT
SCHEMBL9403868 0.67 L3MBTL1 (0.58) KDM4EMEN1ALDH1A1HTTKMT2A
SCHEMBL6463756 0.66 DRD2 (0.42) HTR1ADRD2DRD4KDM4ETDP1
SCHEMBL14361235 0.66 CHRM1 (0.54) KDM4ETDP1MEN1ALDH1A1HTT
SCHEMBL1444940 0.66 HTR6 (0.49) HTR1ADRD2SIGMAR1KDM4EALDH1A1
Aniline SCHEMBL5693557 0.65 TMEM97 (0.45) HTR1ADRD2TMEM97SIGMAR1TDP1

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.