SCHEMBL5844565

SCHEMBL5844565

CCC(COC)Nc1cc(C)nc(Oc2c(Cl)cc(OC)cc2Br)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.39
S1PR4 O95977 2/20 0.34
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DCTPP1 Q9H773 1/20 0.31

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
SCHEMBL5845747 0.87 CRHR1 (0.50) CRHR1
SCHEMBL5844211 0.87 CRHR1 (0.38) CRHR1S1PR4MAPTMAPK1
SCHEMBL5843244 0.86 CRHR1 (0.42) CRHR1KDM4EMAPTMAPK1TDP1
SCHEMBL5842960 0.85 CRHR1 (0.38) CRHR1KDM4EMAPTMAPK1TDP1
SCHEMBL6445851 0.85 S1PR4 (0.32) CRHR1S1PR4DCTPP1
SCHEMBL6428567 0.83 CRHR1 (0.39) CRHR1S1PR4MAPT
SCHEMBL6445853 0.80 S1PR4 (0.32) CRHR1S1PR4KDM4EMAPTMAPK1
SCHEMBL5843332 0.80 S1PR4 (0.44) CRHR1S1PR4MAPTTDP1
SCHEMBL6429928 0.79 CRHR1 (0.43) CRHR1S1PR4KDM4EMAPTMAPK1
SCHEMBL5845050 0.77 CRHR1 (0.37) CRHR1S1PR4KDM4EMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 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

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-20020016328-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 CRHR1 3/4885S1PR4 1055/4885KDM4E 2820/4885
US-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 CRHR1 3/4885S1PR4 902/4885KDM4E 4501/4885

“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.