SCHEMBL5431085

SCHEMBL5431085

CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)Cc3ccccn3)C2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.50
▸ GPR119 Q8TDV5 3/20 0.47
▸ HSD17B10 Q99714 6/20 0.47
▸ CYP2D6 P10635 5/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ SCD5 Q86SK9 1/20 0.46
▸ TSHR P16473 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TACR1 P25103 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ HIF1A Q16665 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL3956276 0.87 GPR119 (0.54) GPR119ALDH1A1TACR1POLBDTYMK
SCHEMBL30793467 0.84 GPR119 (0.51) GPR119ALDH1A1TACR1POLBMEN1
SCHEMBL5428790 0.81 ALDH1A1 (0.47) HSD17B10CYP2D6ALDH1A1CYP3A4TSHR
SCHEMBL30585014 0.80 CYP46A1 (0.54) GPR119HSD17B10CYP2D6ALDH1A1CYP3A4
SCHEMBL1088021 0.80 CYP46A1 (0.54) GPR119HSD17B10CYP2D6ALDH1A1CYP3A4
SCHEMBL25400769 0.79 GPR119 (0.50) GPR119ALDH1A1TACR1OPRD1OPRK1
SCHEMBL22941868 0.79 HSD17B10 (0.69) CYP11B2GPR119HSD17B10CYP2D6ALDH1A1
SCHEMBL29506047 0.79 GPR119 (0.50) GPR119HSD17B10CYP2D6ALDH1A1CYP3A4
SCHEMBL20137533 0.79 GPR119 (0.50) GPR119HSD17B10CYP2D6ALDH1A1CYP3A4
SCHEMBL484915 0.79 HSD17B10 (0.65) CYP11B2GPR119HSD17B10CYP2D6ALDH1A1

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 CYP11B2 1965/4885GPR119 318/4885HSD17B10 2656/4885

“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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