SCHEMBL5401949

SCHEMBL5401949

CCOc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccc(C#N)cc1)CC2

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.63
USP2 O75604 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.61
TSHR P16473 3/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CCR8 P51685 8/20 0.60
KCNH2 Q12809 8/20 0.60
CYP3A4 P08684 5/20 0.60
CHRM2 P08172 1/20 0.56
CHRM3 P20309 1/20 0.56

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 SCHEMBL5437455 0.95 USP2 (0.57) CYP2D6USP2SMN1; SMN2TSHRCYP1A2
SCHEMBL5394015 0.89 CYP2D6 (0.68) CYP2D6USP2SMN1; SMN2TSHRCCR8
SCHEMBL5396135 0.89 USP2 (0.59) CYP2D6USP2SMN1; SMN2TSHRCYP1A2
SCHEMBL5398898 0.88 CYP2D6 (0.67) CYP2D6USP2SMN1; SMN2TSHRCCR8
SCHEMBL5392159 0.88 CYP2D6 (0.67) CYP2D6USP2SMN1; SMN2TSHRCCR8
SCHEMBL5401887 0.88 CYP2D6 (0.67) CYP2D6USP2SMN1; SMN2TSHRCCR8
SCHEMBL5400231 0.87 CYP2D6 (0.66) CYP2D6USP2SMN1; SMN2TSHRCCR8
SCHEMBL5402786 0.87 CCR8 (0.75) CYP2D6USP2SMN1; SMN2TSHRCCR8
SCHEMBL5402898 0.86 CYP2D6 (0.68) CYP2D6USP2SMN1; SMN2TSHRCCR8
SCHEMBL5390511 0.86 CYP2D6 (0.84) CYP2D6USP2SMN1; SMN2TSHRCYP2C9

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 CYP2D6 1764/4885USP2 1826/4885SMN1; 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.