SCHEMBL4237303

SCHEMBL4237303

CC1(C)Cc2cccc(CN3CCC4(CC3)CCN(C(=O)c3ccccc3CC(=O)O)CC4)c2O1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 12/20 0.64
KCNH2 Q12809 12/20 0.64
CHRM2 P08172 4/20 0.44
CHRM3 P20309 3/20 0.44
CYP2D6 P10635 4/20 0.42
ALDH1A1 P00352 2/20 0.42
SSTR5 P35346 1/20 0.42
CYP3A4 P08684 2/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL4241943 0.92 CCR8 (0.66) CCR8KCNH2CHRM2CHRM3CYP2D6
SCHEMBL4234755 0.91 CCR8 (0.62) CCR8KCNH2CHRM2CHRM3CYP2D6
SCHEMBL4233164 0.91 CCR8 (0.64) CCR8KCNH2CHRM2CHRM3CYP2D6
SCHEMBL13805605 0.90 CCR8 (0.61) CCR8KCNH2CHRM2CHRM3CYP2D6
SCHEMBL4233179 0.90 CCR8 (0.61) CCR8KCNH2CHRM2CHRM3CYP2D6
SCHEMBL4235218 0.90 CCR8 (0.59) CCR8KCNH2CHRM2CHRM3SSTR5
Acetic Acid SCHEMBL4237179 0.90 CCR8 (0.59) CCR8KCNH2CHRM2CHRM3CYP2D6
Trifluoroacetic Acid SCHEMBL4230125 0.89 CCR8 (0.60) CCR8KCNH2CHRM2CHRM3CYP2D6
SCHEMBL4234438 0.88 CCR8 (0.76) CCR8KCNH2CHRM2CHRM3CYP2D6
Trifluoroacetic Acid SCHEMBL4237963 0.88 CCR8 (0.59) CCR8KCNH2CHRM2CHRM3CYP2D6

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-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2009-06-18 US claimed
US-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2009-06-18 US disclosed
US-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2009-06-18 US disclosed
US-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2009-06-18 US disclosed
EP-1926730-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2008-06-04 EP disclosed
WO-2007030061-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-03-15 WO disclosed
WO-2007030061-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-03-15 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-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES CCR8, CCR1, CCR10 CCR8 1/4885KCNH2 3143/4885CHRM2 1231/4885

“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.