SCHEMBL1797358

SCHEMBL1797358

COC(=O)CC(C)n1cnc(N)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 2/20 0.35
CPA1 P15085 1/20 0.34
CPB2 Q96IY4 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
KDM4E B2RXH2 1/20 0.32
TNF P01375 2/20 0.32
KDM5A P29375 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
HTT P42858 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ADA P00813 1/20 0.31
KCNA5 P22460 2/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1799400 0.77 ALDH1A1 (0.39) MAPTRAB9AKMT2ATNFHTT
SCHEMBL2979437 0.77 CPA1 (0.35) CPA1CPB2KDM5AKDM4CKDM5B
SCHEMBL1800016 0.73 PSEN1 (0.41) CDK5CDK5R1
SCHEMBL1800598 0.71 PSEN1 (0.39) RAB9AKMT2AKDM4EHTTALDH1A1
SCHEMBL27968391 0.70 KMT2A (0.59) MAPTRAB9AKMT2AKDM4EHTT
Hydrochloric Acid SCHEMBL22833790 0.67 CPA1 (0.40) CPA1CPB2CDK5CDK5R1KDM5A
SCHEMBL29852655 0.67 KDM5A (0.36) KDM4EKDM5AKDM4CKDM5BHTT
SCHEMBL1795455 0.67 PSEN1 (0.43) MAPTRAB9AKDM4EHTTALDH1A1
SCHEMBL2294197 0.66 BRD4 (0.40) MAPTKMT2AKDM4ETNFALDH1A1
SCHEMBL2295784 0.66 HCAR3 (0.44) MAPTRAB9AKMT2AKDM4ETNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1934091-B imidazole compounds for the treatment of neurodegenerative disorders PFIZER PRODUCTS INC. (US) 2012-02-08 CN disclosed
US-7951958-B2 Imidazole compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2011-05-31 US disclosed
US-7795447-B2 4-(Acylaminoacetylamino)imidazole derivatives, e.g., methyl 3-(4-{2-[2-(3,5-Difluorophenyl)acetylamino]pentanoylamino}imidazol-1-yl)butyrate; treating neurodegenerative and/or neurological disorders such as Alzheimer's disease and Down's Syndrome PFIZER INC (US) 2010-09-14 US disclosed
US-20100168107-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC (US) 2010-07-01 US disclosed
US-20080227781-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2008-09-18 US disclosed
EP-1730119-B1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-06-25 EP disclosed
US-7342118-B2 Imidazole compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2008-03-11 US disclosed
CN-1934091-A Imidazole compounds for the treatment of neurodegenerative disorders PFIZER (US) 2007-03-21 CN 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-20100168107-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PSEN1, PSEN2 MAPT 5/4885RAB9A 981/4885KMT2A 2382/4885
US-20080227781-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PSEN1, PSEN2 MAPT 5/4885RAB9A 981/4885KMT2A 2382/4885

“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.