SCHEMBL5120576

SCHEMBL5120576

CCC[C@H](NC1CCc2c(C)ccc(C)c2C1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.41
CDK9 P50750 2/20 0.38
CCNT1 O60563 1/20 0.38
PPARG P37231 1/20 0.37
FPR2 P25090 1/20 0.36
PSEN1 P49768 8/20 0.35
PSEN2 P49810 8/20 0.35
APH1B Q8WW43 8/20 0.35
NCSTN Q92542 8/20 0.35
APH1A Q96BI3 8/20 0.35
PSENEN Q9NZ42 8/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
GSAP A4D1B5 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL5120569 1.00 ACE (0.41) ACECDK9CCNT1PPARGFPR2
SCHEMBL2821082 0.82 ACE (0.38) ACECDK9CCNT1PPARGPSEN1
SCHEMBL2822394 0.79 MTNR1A (0.56) ACEPSEN1PSEN2APH1BNCSTN
SCHEMBL2980372 0.79 MTNR1A (0.56) ACEPSEN1PSEN2APH1BNCSTN
SCHEMBL4738196 0.79 MTNR1A (0.56) ACEPSEN1PSEN2APH1BNCSTN
SCHEMBL5127042 0.78 PSEN1 (0.55) ACEPSEN1PSEN2APH1BNCSTN
SCHEMBL5131682 0.78 DRD2 (0.49) ACEPSEN1PSEN2APH1BNCSTN
SCHEMBL5131679 0.78 DRD2 (0.49) ACEPSEN1PSEN2APH1BNCSTN
SCHEMBL5127039 0.78 PSEN1 (0.55) ACEPSEN1PSEN2APH1BNCSTN
SCHEMBL5119348 0.78 PSEN1 (0.43) ACEPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384968-B2 Thiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2008-06-10 US claimed
EP-1735292-A1 THIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-12-27 EP claimed
US-20060084689-A1 Thiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC. 2006-04-20 US claimed
WO-2005095367-A1 THIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-13 WO claimed
US-20080207712-A1 THIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2008-08-28 US disclosed
US-7384968-B2 Thiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2008-06-10 US disclosed
EP-1735292-A1 THIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-12-27 EP disclosed
US-20060084689-A1 Thiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC. 2006-04-20 US disclosed
WO-2005095367-A1 THIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-13 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-20080207712-A1 THIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PSEN1, BACE1 ACE 927/4885CDK9 2274/4885CCNT1 697/4885
US-20060084689-A1 Thiazole-amine compounds for the treatment of neurodegenerative disorders APP, PSEN1, BACE1 ACE 927/4885CDK9 2274/4885CCNT1 697/4885

“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.