SCHEMBL4237240

SCHEMBL4237240

CC1(C)Cc2c(CN3CCC4(CC3)CNC4)cccc2O1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCR8 P51685 10/20 0.61
▸ KCNH2 Q12809 10/20 0.61
▸ CYP2D6 P10635 5/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TSHR P16473 4/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ SIGMAR1 Q99720 3/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL4235552 0.89 CCR8 (0.63) CCR8KCNH2CYP2D6USP2TSHR
Hydrochloric Acid SCHEMBL4230897 0.88 CCR8 (0.62) CCR8KCNH2CYP2D6USP2TSHR
SCHEMBL4235211 0.88 CCR8 (0.54) CCR8KCNH2CYP2D6USP2TSHR
Hydrochloric Acid SCHEMBL4230842 0.82 CCR8 (0.56) CCR8KCNH2CYP2D6USP2LMNA
SCHEMBL4237721 0.81 CCR8 (0.51) CCR8KCNH2CYP2D6USP2TSHR
SCHEMBL4230503 0.78 CCR8 (0.54) CCR8KCNH2CYP2D6USP2TSHR
Hydrochloric Acid SCHEMBL4234261 0.77 CCR8 (0.53) CCR8KCNH2CYP2D6USP2TSHR
SCHEMBL4239363 0.77 CCR8 (1.00) CCR8KCNH2CYP2D6TSHRMEN1
SCHEMBL4238533 0.76 CCR8 (0.81) CCR8KCNH2CYP2D6USP2TSHR
SCHEMBL4743045 0.76 CXCR4 (0.51) CCR8KCNH2ALDH1A1

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 6 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 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 3143/4885CYP2D6 1868/4885

“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.

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