SCHEMBL4739329

SCHEMBL4739329

CCCC(NC1Cc2ccc(F)cc2C1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA12 O43570 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CDK9 P50750 2/20 0.41
CCNT1 O60563 1/20 0.41
PRMT5 O14744 2/20 0.39
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
DPP8 Q6V1X1 4/20 0.38

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
SCHEMBL5130706 1.00 HTR1D (0.49) HTR1DHTR1BPSEN1PSEN2APH1B
SCHEMBL4739324 1.00 HTR1D (0.49) HTR1DHTR1BPSEN1PSEN2APH1B
SCHEMBL5121719 0.90 HTR1D (0.60) HTR1DHTR1BPSEN1PSEN2APH1B
SCHEMBL2819567 0.90 HTR1D (0.60) HTR1DHTR1BPSEN1PSEN2APH1B
SCHEMBL5121715 0.90 HTR1D (0.60) HTR1DHTR1BPSEN1PSEN2APH1B
SCHEMBL4737458 0.88 PSEN1 (0.47) HTR1DHTR1BPSEN1PSEN2APH1B
SCHEMBL4737453 0.88 PSEN1 (0.47) HTR1DHTR1BPSEN1PSEN2APH1B
SCHEMBL2822767 0.85 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4733079 0.85 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5131621 0.85 PSEN1 (0.45) 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 15 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
EP-1735285-A2 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Incorporated (US) 2006-12-27 EP disclosed
WO-2005095348-A2 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-13 WO 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 HTR1D 150/4885HTR1B 59/4885PSEN1 4/4885
US-20070265327-A1 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PRNP, BACE1 HTR1D 150/4885HTR1B 59/4885PSEN1 4/4885

“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.