SCHEMBL5436635

SCHEMBL5436635

CCOc1ccccc1CN1CCC2(CCNCC2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.76
USP2 O75604 1/20 0.76
MAPT P10636 1/20 0.56
TSHR P16473 3/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
HIF1A Q16665 1/20 0.56
GAA P10253 1/20 0.54
KDM4E B2RXH2 3/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
DRD2 P14416 2/20 0.49
CHRM2 P08172 1/20 0.49
CHRM3 P20309 1/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
HTR1A P08908 1/20 0.49

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
SCHEMBL5437625 0.86 CYP2D6 (0.71) CYP2D6USP2TSHRMEN1ALDH1A1
SCHEMBL11033419 0.86 MAPT (0.65) CYP2D6USP2MAPTGAAKDM4E
SCHEMBL5775593 0.85 CYP2D6 (0.57) CYP2D6USP2MAPTTSHRALDH1A1
Hydrochloric Acid SCHEMBL5437950 0.85 CYP2D6 (0.70) CYP2D6USP2MAPTTSHRMEN1
SCHEMBL2077049 0.82 CYP2D6 (0.85) CYP2D6USP2TSHRMEN1ALDH1A1
SCHEMBL13855081 0.82 CYP2D6 (0.72) CYP2D6USP2TSHRMEN1ALDH1A1
Hydrochloric Acid SCHEMBL2074445 0.81 CYP2D6 (0.83) CYP2D6USP2TSHRMEN1ALDH1A1
Hydrochloric Acid SCHEMBL4239051 0.81 CYP2D6 (0.70) CYP2D6USP2TSHRMEN1ALDH1A1
SCHEMBL5394015 0.78 CYP2D6 (0.68) CYP2D6USP2TSHRALDH1A1CHRM2
SCHEMBL1143420 0.77 MAPT (0.68) MAPTTSHRMEN1ALDH1A1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US disclosed
EP-1678178-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2006-07-12 EP disclosed
WO-2005040167-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2005-05-06 WO 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-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases CCR8, CCR1, CCR10 CYP2D6 1764/4885USP2 1826/4885MAPT 4197/4885

“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.