SCHEMBL4738196

SCHEMBL4738196

CCCC(N[C@H]1CCc2ccccc2C1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.56
MTNR1B P49286 4/20 0.56
ACE P12821 2/20 0.54
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52
GRIN2B Q13224 4/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
GMNN O75496 1/20 0.47
LMNA P02545 1/20 0.47
PMP22 Q01453 1/20 0.47
KMT2A Q03164 1/20 0.47
MME P08473 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL2822394 1.00 MTNR1A (0.56) MTNR1AMTNR1BACEPSEN1PSEN2
SCHEMBL2980372 1.00 MTNR1A (0.56) MTNR1AMTNR1BACEPSEN1PSEN2
SCHEMBL4739536 0.92 ACE (0.49) MTNR1AMTNR1BACEPSEN1PSEN2
SCHEMBL5127845 0.92 ACE (0.49) MTNR1AMTNR1BACEPSEN1PSEN2
SCHEMBL4739541 0.92 ACE (0.49) MTNR1AMTNR1BACEPSEN1PSEN2
SCHEMBL5125134 0.90 MME (0.51) MTNR1AMTNR1BACEPSEN1PSEN2
SCHEMBL2822813 0.90 MME (0.51) MTNR1AMTNR1BACEPSEN1PSEN2
SCHEMBL4738105 0.88 ADRB3 (0.50) MTNR1AMTNR1BACEPSEN1PSEN2
SCHEMBL4738108 0.88 ADRB3 (0.50) MTNR1AMTNR1BACEPSEN1PSEN2
SCHEMBL5119350 0.85 PSEN1 (0.43) MTNR1AMTNR1BACEPSEN1PSEN2

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 31 patents — showing the first 20. 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-7384968-B2 Thiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2008-06-10 US 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
US-7232820-B2 Thiadiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-06-19 US claimed
EP-1735294-A1 THIADIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Incorporated (US) 2006-12-27 EP claimed
EP-1735285-A2 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Incorporated (US) 2006-12-27 EP 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-2005095368-A1 THIADIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-13 WO claimed
WO-2005095367-A1 THIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-13 WO claimed
WO-2005095348-A2 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-13 WO claimed
US-20050222219-A1 Thiadiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC 2005-10-06 US 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
US-20080207712-A1 THIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2008-08-28 US disclosed
WO-2005095368-A1 THIADIAZOLE-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
US-20050222219-A1 Thiadiazole-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 (5 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 MTNR1A 142/4885MTNR1B 110/4885ACE 1207/4885
US-20080207712-A1 THIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PSEN1, BACE1 MTNR1A 28/4885MTNR1B 23/4885ACE 927/4885
US-20070265327-A1 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PRNP, BACE1 MTNR1A 142/4885MTNR1B 110/4885ACE 1207/4885
US-20050222219-A1 Thiadiazole-amine compounds for the treatment of neurodegenerative disorders APP, BACE1, PSEN1 MTNR1A 55/4885MTNR1B 64/4885ACE 1906/4885
US-20060084689-A1 Thiazole-amine compounds for the treatment of neurodegenerative disorders APP, PSEN1, BACE1 MTNR1A 28/4885MTNR1B 23/4885ACE 927/4885

“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.