SCHEMBL6033776

SCHEMBL6033776

O=C1C2CCCN2C(=O)C2(CCN(CCCCc3ccccc3)CC2)N1CCc1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.51
HTR2A P28223 2/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
SLC6A4 P31645 1/20 0.51
HRH1 P35367 1/20 0.51
DRD3 P35462 1/20 0.51
HTR2B P41595 1/20 0.51
CCR5 P51681 6/20 0.44
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42

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
SCHEMBL6037254 0.99 HTR1A (0.51) HTR1AHTR2ADRD2DRD4SLC6A4
SCHEMBL6034894 0.99 HTR1A (0.51) HTR1AHTR2ADRD2DRD4SLC6A4
SCHEMBL6034533 0.97 DRD2 (0.48) HTR1AHTR2ADRD2DRD4SLC6A4
SCHEMBL6034672 0.94 HTR2A (0.48) HTR1AHTR2ADRD2DRD4SLC6A4
SCHEMBL6034628 0.91 BCHE (0.47) HTR1AHTR2ADRD2DRD4SLC6A4
SCHEMBL6035575 0.87 CCR5 (0.50) CCR5
SCHEMBL6034909 0.86 HTR2A (0.45) HTR1AHTR2ADRD2DRD4SLC6A4
SCHEMBL6033770 0.86 CCR5 (0.51) CCR5
SCHEMBL6034645 0.86 CCR5 (0.51) CCR5
SCHEMBL6034941 0.85 DRD2 (0.45) HTR1AHTR2ADRD2DRD4SLC6A4

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-20060019977-A1 Spiroheterocyclic derivative compounds and drugs comprising the compound as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-26 US claimed
EP-1553098-A1 SPIROHETEROCYCLIC DERIVATIVE COMPOUNDS AND DRUGS COMPRISING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 EP claimed
EP-1553098-A1 SPIROHETEROCYCLIC DERIVATIVE COMPOUNDS AND DRUGS COMPRISING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 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-20060019977-A1 Spiroheterocyclic derivative compounds and drugs comprising the compound as the active ingredient CCR1, ACKR3, CCR10 HTR1A 4432/4885HTR2A 4556/4885DRD2 4220/4885

“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.