SCHEMBL4227532

SCHEMBL4227532

C1CC(NCC2CC2)CC[N]1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.33
TDP1 Q9NUW8 1/20 0.30
JAK1 P23458 1/20 0.30

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
SCHEMBL8110584 0.90 IRAK4 (0.33) IRAK4JAK1
SCHEMBL5949637 0.89 CHRM2 (0.39)
SCHEMBL2093735 0.86
SCHEMBL1678728 0.81
SCHEMBL5868679 0.81 GNAI3 (0.38)
SCHEMBL500360 0.76
SCHEMBL5949532 0.76 CHRM2 (0.37)
SCHEMBL1678693 0.76 KDM4E (0.42) JAK1
SCHEMBL1679234 0.76
SCHEMBL1356264 0.74 KDM4E (0.46)

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853392-B2 Benzamide mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2014-10-07 US claimed
EP-0791592-B1 Azetidines PFIZER LTD (GB) 2003-05-21 EP claimed
EP-0775132-B1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LTD (GB) 2001-03-28 EP claimed
US-5968923-A ANTIINFLAMMATORY AGENTS, TREATMENT OF NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS PFIZER INC. (US) 1999-10-19 US claimed
US-5741790-A Azetidines PFIZER INC. (US) 1998-04-21 US claimed
EP-0791592-A2 Azetidines Pfizer Limited (GB) 1997-08-27 EP claimed
EP-0775132-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 1997-05-28 EP claimed
WO-1996005193-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1996-02-22 WO claimed
US-8853392-B2 Benzamide mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2014-10-07 US disclosed
US-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME DEPARTMENT OF VETERANS AFFAIRS 2009-02-12 US disclosed
EP-0791592-B1 Azetidines PFIZER LTD (GB) 2003-05-21 EP disclosed
EP-0871623-B1 3-AZETIDINYLALKYLPIPERIDINES OR -PYRROLIDINES AS TACHYKININ ANTAGONISTS PFIZER RES & DEV (IE) 2003-02-12 EP disclosed
US-6242438-B1 3-Azetidinylalkylpiperidines or -pyrrolidines as tachykinin antagonists PFIZER INC. 2001-06-05 US disclosed
EP-0775132-B1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LTD (GB) 2001-03-28 EP disclosed
EP-0871623-A1 3-AZETIDINYLALKYLPIPERIDINES OR -PYRROLIDINES AS TACHYKININ ANTAGONISTS Pfizer Research and Development Company, N.V./S.A. (IE) 1998-10-21 EP disclosed
US-5741790-A Azetidines PFIZER INC. (US) 1998-04-21 US disclosed
EP-0791592-A2 Azetidines Pfizer Limited (GB) 1997-08-27 EP disclosed
WO-1997025322-A1 3-AZETIDINYLALKYLPIPERIDINES OR -PYRROLIDINES AS TACHYKININ ANTAGONISTS PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-07-17 WO disclosed
EP-0775132-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 1997-05-28 EP disclosed
WO-1996005193-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1996-02-22 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-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME GRM5, GRIK5, GRM3 IRAK4 1041/4885TDP1 2749/4885JAK1 1134/4885

“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.