SCHEMBL4737458

SCHEMBL4737458

CCCC(NC1CCCc2ccc(F)cc2C1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 9/20 0.47
PSEN2 P49810 9/20 0.47
APH1B Q8WW43 9/20 0.47
NCSTN Q92542 9/20 0.47
APH1A Q96BI3 9/20 0.47
PSENEN Q9NZ42 9/20 0.47
HTR1D P28221 2/20 0.46
HTR1B P28222 1/20 0.46
PRMT5 O14744 2/20 0.42
CDK9 P50750 2/20 0.41
CCNT1 O60563 1/20 0.41
ACE P12821 1/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
DRD4 P21917 1/20 0.39
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL4737453 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2819567 0.89 HTR1D (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5121719 0.89 HTR1D (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5121715 0.89 HTR1D (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5130706 0.88 HTR1D (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4739324 0.88 HTR1D (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4739329 0.88 HTR1D (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4739541 0.85 ACE (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5127845 0.85 ACE (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4739536 0.85 ACE (0.49) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1958939-A2 Pyrazole-amine compounds for the treatment of neurodegenerative disorders Pfizer Products Inc. (US) 2008-08-20 EP claimed
EP-1735285-B1 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-07-23 EP claimed
US-20070265327-A1 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-15 US claimed
US-7244757-B2 Pyrazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-17 US claimed
EP-1735285-A2 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Incorporated (US) 2006-12-27 EP claimed
WO-2005095348-A2 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-13 WO claimed
US-20050222239-A1 Pyrazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC 2005-10-06 US claimed
US-7468386-B2 Pyrazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2008-12-23 US disclosed
EP-1958939-A2 Pyrazole-amine compounds for the treatment of neurodegenerative disorders Pfizer Products Inc. (US) 2008-08-20 EP disclosed
EP-1735285-B1 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-07-23 EP disclosed
US-20070265327-A1 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-15 US disclosed
US-7244757-B2 Pyrazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-17 US disclosed
US-20050222239-A1 Pyrazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC 2005-10-06 US 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-20050222239-A1 Pyrazole-amine compounds for the treatment of neurodegenerative disorders APP, PRNP, BACE1 PSEN1 4/4885PSEN2 7/4885APH1B 21/4885
US-20070265327-A1 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PRNP, BACE1 PSEN1 4/4885PSEN2 7/4885APH1B 21/4885

“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.