SCHEMBL5437394

SCHEMBL5437394

COc1cccc(CN2CCC3(CC2)CCN(C(=O)c2ccccc2)CC3OC(=O)C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 3/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 1/20 0.54
RECQL P46063 1/20 0.54
CYP2D6 P10635 2/20 0.53
TSHR P16473 1/20 0.53
CCR8 P51685 5/20 0.52
KCNH2 Q12809 5/20 0.52
CHRM2 P08172 3/20 0.51
CHRM3 P20309 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL5428861 0.93 CYP2D6 (0.52) KMT2AKDM4EALDH1A1MEN1LMNA
SCHEMBL5431424 0.92 CCR8 (0.49) KMT2AKDM4EALDH1A1MEN1LMNA
SCHEMBL5426148 0.92 CCR8 (0.51) KDM4EALDH1A1LMNACYP2D6TSHR
SCHEMBL5435328 0.90 CHRM2 (0.65) KDM4EALDH1A1LMNACYP2D6TSHR
SCHEMBL5434785 0.88 USP2 (0.54) ALDH1A1CYP2D6TSHRCCR8KCNH2
SCHEMBL5436009 0.88 CHRM2 (0.65) KMT2AKDM4EALDH1A1MEN1LMNA
SCHEMBL5441633 0.87 CYP2D6 (0.49) KMT2AKDM4EALDH1A1MEN1LMNA
SCHEMBL5435063 0.85 CHRM2 (0.48) CYP2D6TSHRCCR8KCNH2CHRM2
SCHEMBL5425833 0.84 USP2 (0.59) KDM4EALDH1A1CYP2D6TSHRCCR8
Trifluoroacetic Acid SCHEMBL5437388 0.83 CYP2D6 (0.70) KMT2AKDM4EALDH1A1MEN1LMNA

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 KMT2A 2587/4885KDM4E 2994/4885ALDH1A1 1230/4885

“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.