SCHEMBL6034909

SCHEMBL6034909

CN1CCC2(CC1)C(=O)N1CCCC1C(=O)N2CCc1c[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.45
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR6 P50406 5/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
SLC6A4 P31645 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL6034941 0.90 DRD2 (0.45) HTR2ARAB9ASMN1; SMN2HTR6MAPT
SCHEMBL6034628 0.88 BCHE (0.47) HTR2AMEN1KMT2AHTR1ADRD2
SCHEMBL6034672 0.88 HTR2A (0.48) HTR2ARAB9ASMN1; SMN2HTR1ADRD2
SCHEMBL6034533 0.87 DRD2 (0.48) HTR2AHTR1ADRD2DRD4SLC6A4
SCHEMBL6033776 0.86 HTR1A (0.51) HTR2AHTR1ADRD2DRD4SLC6A4
SCHEMBL6034894 0.85 HTR1A (0.51) HTR2AHTR1ADRD2DRD4SLC6A4
SCHEMBL6037254 0.85 HTR1A (0.51) HTR2AHTR1ADRD2DRD4SLC6A4
SCHEMBL6034899 0.81 BDKRB2 (0.47) SMN1; SMN2MEN1GAAKMT2A
SCHEMBL6613217 0.77 MAPT (0.53) HTR2ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6034610 0.76 CCR5 (0.43) MAPTMEN1KMT2A

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 2 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

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 HTR2A 4556/4885RAB9A 842/4885SMN1; SMN2 4754/4885

“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.