SCHEMBL5437625

SCHEMBL5437625

CC(C)COc1ccccc1CN1CCC2(CCNCC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.71
USP2 O75604 3/20 0.71
CCR8 P51685 3/20 0.62
KCNH2 Q12809 3/20 0.62
TSHR P16473 3/20 0.52
HIF1A Q16665 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
GNAI3 P08754 1/20 0.45
DRD2 P14416 1/20 0.45
HPGD P15428 1/20 0.44
CYP3A4 P08684 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
Hydrochloric Acid SCHEMBL5437950 0.99 CYP2D6 (0.70) CYP2D6USP2CCR8KCNH2TSHR
SCHEMBL5432025 0.86 CCR8 (0.64) CYP2D6USP2CCR8KCNH2TSHR
SCHEMBL5436635 0.86 CYP2D6 (0.76) CYP2D6USP2KCNH2TSHRHIF1A
SCHEMBL5428260 0.81 CCR8 (0.61) CYP2D6USP2CCR8KCNH2TSHR
SCHEMBL5389912 0.81 CCR8 (0.71) CYP2D6USP2CCR8KCNH2TSHR
SCHEMBL5389903 0.81 CCR8 (0.71) CYP2D6USP2CCR8KCNH2TSHR
SCHEMBL5395108 0.80 CYP2D6 (0.74) CYP2D6USP2CCR8KCNH2TSHR
SCHEMBL5410851 0.80 CCR8 (0.86) CYP2D6USP2CCR8KCNH2TSHR
SCHEMBL2077049 0.79 CYP2D6 (0.85) CYP2D6USP2CCR8KCNH2TSHR
SCHEMBL5392347 0.79 KDM4E (0.64) CYP2D6USP2CCR8KCNH2TSHR

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 1826/4885CCR8 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.