SCHEMBL5844440

SCHEMBL5844440

CCCCN(CC)c1cc(C)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 19/20 0.43
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL8044755 0.78 CRHR1 (0.43) CRHR1
SCHEMBL12027415 0.77 MAPT (0.43) CRHR1CYP3A4MAPTMAPK1
SCHEMBL7897727 0.77 CRHR1 (0.47) CRHR1
SCHEMBL6295020 0.76 CRHR1 (0.42) CRHR1CYP3A4MAPTMAPK1
SCHEMBL12046686 0.76 CRHR1 (0.45) CRHR1
SCHEMBL11365693 0.76 PPIA (0.37) CRHR1MAPTMAPK1
Hydrochloric Acid SCHEMBL11369618 0.75 PPIA (0.36) CRHR1MAPTMAPK1
SCHEMBL11363707 0.74 GAA (0.40) MAPT
SCHEMBL9124554 0.73 MEN1 (0.38) CRHR1CYP3A4MAPTMAPK1
Hydrochloric Acid SCHEMBL11262372 0.73 MAPT (0.40) MAPT

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-20140179919-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT EMORY UNIVERSITY (US) 2014-06-26 US disclosed
US-20140179919-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT EMORY UNIVERSITY (US) 2014-06-26 US disclosed
US-20140179919-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT EMORY UNIVERSITY (US) 2014-06-26 US disclosed
US-20130287687-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT UNIV EMORY (US) 2013-10-31 US disclosed
US-20130287687-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT UNIV EMORY (US) 2013-10-31 US disclosed
US-20130287687-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT UNIV EMORY (US) 2013-10-31 US disclosed
US-8551996-B2 Compounds, compositions, methods of synthesis, and methods of treatment EMORY UNIVERSITY (US) 2013-10-08 US disclosed
US-8551996-B2 Compounds, compositions, methods of synthesis, and methods of treatment EMORY UNIVERSITY (US) 2013-10-08 US disclosed
US-8551996-B2 Compounds, compositions, methods of synthesis, and methods of treatment EMORY UNIVERSITY (US) 2013-10-08 US disclosed
US-20110305636-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT EMORY UNIVERSITY (US) 2011-12-15 US disclosed
WO-2010096426-A2 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT EMORY UNIVERSITY (US) 2010-08-26 WO disclosed
US-7125880-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-10-24 US disclosed
US-7067664-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-06-27 US disclosed
US-6956047-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-10-18 US disclosed
US-20050032846-A1 Corticotropin releasing factor antagonists PFIZER INC. 2005-02-10 US disclosed
US-6833378-B2 Pyridines, pyrimidines, purinones, pyrrolopyrimidinones and pyrrolopyridinones; useful in the treatment disorders including CNS and stress-related disorders. PFIZER INC 2004-12-21 US disclosed
EP-1263732-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Pfizer Products Inc. (US) 2002-12-11 EP disclosed
US-20020016328-A1 Corticotropin releasing factor antagonists PFIZER INC. 2002-02-07 US disclosed
WO-2001053263-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-07-26 WO disclosed
US-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 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-20140179919-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT CRH, CRHR1, CRHR2 CRHR1 2/4885CYP3A4 2207/4885MAPT 2625/4885
US-20020016328-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 CRHR1 3/4885CYP3A4 2453/4885MAPT 2253/4885
US-20110305636-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT CRH, CRHR1, CRHR2 CRHR1 2/4885CYP3A4 2668/4885MAPT 2261/4885
US-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 CRHR1 3/4885CYP3A4 4070/4885MAPT 1457/4885
US-20130287687-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT CRH, CRHR1, CRHR2 CRHR1 2/4885CYP3A4 2207/4885MAPT 2625/4885

“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.