SCHEMBL5425833

SCHEMBL5425833

COc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccccc1)CC2OC(=O)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 5/20 0.59
TSHR P16473 5/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CYP2D6 P10635 13/20 0.59
CYP3A4 P08684 6/20 0.59
ALDH1A1 P00352 6/20 0.54
CCR8 P51685 3/20 0.53
KCNH2 Q12809 3/20 0.53
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
HIF1A Q16665 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL5431343 0.92 USP2 (0.50) USP2TSHRSMN1; SMN2CYP2D6CYP3A4
SCHEMBL5437426 0.91 TSHR (0.49) USP2TSHRSMN1; SMN2CYP2D6CYP3A4
SCHEMBL5431103 0.90 CCR8 (0.61) USP2TSHRSMN1; SMN2CYP2D6CYP3A4
SCHEMBL5437581 0.90 USP2 (0.47) USP2TSHRSMN1; SMN2CYP2D6CYP3A4
SCHEMBL5431493 0.89 CCR8 (0.51) USP2TSHRSMN1; SMN2CYP2D6CYP3A4
SCHEMBL5428533 0.88 CCR8 (0.71) USP2TSHRSMN1; SMN2CYP2D6CYP3A4
SCHEMBL5439870 0.87 CYP2D6 (0.47) USP2TSHRSMN1; SMN2CYP2D6CYP3A4
SCHEMBL5441633 0.86 CYP2D6 (0.49) USP2TSHRSMN1; SMN2CYP2D6CYP3A4
SCHEMBL5434119 0.86 KMT2A (0.53) USP2TSHRSMN1; SMN2CYP2D6CYP3A4
SCHEMBL5428861 0.86 CYP2D6 (0.52) USP2TSHRSMN1; SMN2CYP2D6CYP3A4

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 USP2 1826/4885TSHR 3697/4885SMN1; SMN2 656/4885

“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.