SCHEMBL5875833

SCHEMBL5875833

CC(C)CCNC(C)c1cnc(N)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.40
PSEN2 P49810 5/20 0.40
APH1B Q8WW43 5/20 0.40
NCSTN Q92542 5/20 0.40
APH1A Q96BI3 5/20 0.40
PSENEN Q9NZ42 5/20 0.40
NOS1 P29475 1/20 0.36
GRM8 O00222 1/20 0.35
GRM4 Q14833 1/20 0.35
CYP1A2 P05177 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 3/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
CYP3A4 P08684 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL5875551 0.85 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5875580 0.84 NOS1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5875684 0.83 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5875542 0.81 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5875674 0.81 CA2 (0.39) NOS1GRM8GRM4SMN1; SMN2BACE1
SCHEMBL5875830 0.79 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5875764 0.74 NOS1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5875679 0.74 POLB (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5875732 0.71 POLB (0.39) NOS1CYP1A2SMN1; SMN2BACE1ALDH1A1
SCHEMBL682219 0.70

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
JP-2006504796-A 2006-02-09 JP claimed
EP-1551815-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP claimed
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders PFIZER INC 2004-08-05 US claimed
WO-2004033439-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO claimed
EP-1551815-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders PFIZER INC 2004-08-05 US disclosed
WO-2004033439-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 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-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders APP, PARK7, IAPP PSEN1 5/4885PSEN2 7/4885APH1B 20/4885

“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.