SCHEMBL3593653

SCHEMBL3593653

CC(C)(C)OC(=O)N1CCC(Nc2cnccc2N)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.55
CDK2 P24941 1/20 0.55
ALDH1A1 P00352 2/20 0.54
DYRK1A Q13627 1/20 0.54
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GPR119 Q8TDV5 7/20 0.51
CNR1 P21554 1/20 0.48
USP30 Q70CQ3 1/20 0.46
EPHX1 P07099 1/20 0.45
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
HASPIN Q8TF76 1/20 0.45
ADORA2A P29274 1/20 0.45
NAMPT P43490 1/20 0.45
JAK1 P23458 1/20 0.45

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
SCHEMBL2248074 0.91 DYRK1A (0.56) CCNA2CDK2ALDH1A1DYRK1ANPC1
SCHEMBL31342906 0.87 ALDH1A1 (0.55) CCNA2CDK2ALDH1A1DYRK1ANPC1
SCHEMBL16895982 0.87 USP30 (0.47) CCNA2CDK2DYRK1AGPR119USP30
SCHEMBL31342862 0.86 ALDH1A1 (0.56) CCNA2CDK2ALDH1A1DYRK1ANPC1
SCHEMBL31342900 0.85 ALDH1A1 (0.58) CCNA2CDK2ALDH1A1DYRK1ANPC1
SCHEMBL21056670 0.85 DYRK1A (0.53) CCNA2CDK2ALDH1A1DYRK1ANPC1
SCHEMBL30304404 0.85 DYRK1A (0.53) CCNA2CDK2ALDH1A1DYRK1ANPC1
SCHEMBL19383614 0.85 DYRK1A (0.57) CCNA2CDK2ALDH1A1DYRK1ANPC1
SCHEMBL18741675 0.84 USP30 (0.51) CCNA2CDK2ALDH1A1DYRK1ANPC1
SCHEMBL21056663 0.84 ALDH1A1 (0.55) CCNA2CDK2ALDH1A1DYRK1ANPC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 CN disclosed
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
EP-1742934-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-01-17 EP disclosed
WO-2005101989-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2005-11-03 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 (2 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-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 CCR5, CCR2, CXCR3 CCNA2 3882/4885CDK2 1844/4885ALDH1A1 1094/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 CCNA2 3914/4885CDK2 1331/4885ALDH1A1 586/4885

“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.