SCHEMBL5436009

SCHEMBL5436009

O=C(c1ccccc1)N1CCC2(CCN(Cc3cccc(Cl)c3)CC2)C(OC(=O)C(F)(F)F)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.65
CHRM3 P20309 3/20 0.65
CCR8 P51685 4/20 0.51
KCNH2 Q12809 4/20 0.51
CYP2D6 P10635 4/20 0.50
MAPK1 P28482 2/20 0.50
USP2 O75604 2/20 0.49
TSHR P16473 5/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRB2 P07550 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5434785 0.90 USP2 (0.54) CHRM2CHRM3CCR8KCNH2CYP2D6
SCHEMBL5435328 0.90 CHRM2 (0.65) CHRM2CHRM3CCR8KCNH2CYP2D6
SCHEMBL5437394 0.88 KMT2A (0.54) CHRM2CHRM3CCR8KCNH2CYP2D6
SCHEMBL5426148 0.88 CCR8 (0.51) CHRM2CHRM3CCR8KCNH2CYP2D6
SCHEMBL5431424 0.86 CCR8 (0.49) CHRM2CHRM3CCR8KCNH2CYP2D6
SCHEMBL5435063 0.86 CHRM2 (0.48) CHRM2CHRM3CCR8KCNH2CYP2D6
SCHEMBL5428861 0.84 CYP2D6 (0.52) CHRM2CHRM3CCR8KCNH2CYP2D6
SCHEMBL5429066 0.82 CCR8 (0.57) CHRM2CHRM3CCR8KCNH2
Trifluoroacetic Acid SCHEMBL5436006 0.81 CHRM2 (0.89) CHRM2CHRM3CCR8KCNH2CYP2D6
SCHEMBL5437581 0.81 USP2 (0.47) CHRM2CHRM3CCR8KCNH2CYP2D6

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-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 CHRM2 581/4885CHRM3 312/4885CCR8 1/4885

“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.