SCHEMBL5402137

SCHEMBL5402137

CCOc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccc(SC)cc1OC)CC2

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
CHRM2 P08172 1/20 0.59
CHRM3 P20309 1/20 0.59
CYP2D6 P10635 9/20 0.56
TSHR P16473 3/20 0.56
USP2 O75604 3/20 0.55
CYP3A4 P08684 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
CCR8 P51685 4/20 0.53
KCNH2 Q12809 4/20 0.53

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
Trifluoroacetic Acid SCHEMBL5446287 0.95 GAA (0.57) GAACHRM2CHRM3CYP2D6TSHR
SCHEMBL5405033 0.91 GAA (0.65) GAACHRM2CHRM3CYP2D6TSHR
Trifluoroacetic Acid SCHEMBL5433995 0.87 GAA (0.60) GAACHRM2CHRM3CYP2D6TSHR
SCHEMBL5409231 0.85 CCR8 (0.56) GAACYP2D6TSHRUSP2CYP3A4
SCHEMBL5446289 0.85 GAA (0.48) GAACHRM2CHRM3CYP2D6TSHR
SCHEMBL5390526 0.82 CHRM2 (0.64) CHRM2CHRM3CYP2D6TSHRUSP2
Trifluoroacetic Acid SCHEMBL5446116 0.82 CCR8 (0.52) GAACYP2D6TSHRUSP2CYP3A4
SCHEMBL5404553 0.81 CYP2D6 (0.68) CYP2D6TSHRUSP2CYP3A4ALDH1A1
SCHEMBL5399839 0.80 CHRM2 (0.63) CHRM2CHRM3CYP2D6TSHRUSP2
SCHEMBL5390436 0.79 CHRM2 (0.70) CHRM2CHRM3CYP2D6TSHRUSP2

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 7 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 claimed
JP-2007509141-A 2007-04-12 JP claimed
EP-1678178-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2006-07-12 EP claimed
WO-2005040167-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2005-05-06 WO claimed
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 GAA 2459/4885CHRM2 581/4885CHRM3 312/4885

“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.