SCHEMBL5843332

SCHEMBL5843332

CCC(COC)Nc1cc(C)nc(Oc2ccc(Cl)cc2Cl)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 8/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
CRHR1 P34998 6/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL6428567 0.84 CRHR1 (0.39) S1PR4NPC1LMNAMAPTHPGD
SCHEMBL5844211 0.81 CRHR1 (0.38) S1PR4MAPTCRHR1
SCHEMBL5845050 0.80 CRHR1 (0.37) S1PR4LMNAMAPTCRHR1TDP1
SCHEMBL5844565 0.80 CRHR1 (0.39) S1PR4MAPTCRHR1TDP1
SCHEMBL5843244 0.80 CRHR1 (0.42) LMNAMAPTCRHR1TDP1
SCHEMBL5845747 0.78 CRHR1 (0.50) CRHR1
SCHEMBL6429928 0.78 CRHR1 (0.43) S1PR4NPC1MAPTCRHR1TDP1
SCHEMBL5842886 0.78 CRHR1 (0.42) LMNAMAPTCRHR1TDP1
SCHEMBL5844044 0.78 CRHR1 (0.57) CRHR1
SCHEMBL5844295 0.77 CRHR1 (0.38) NPC1LMNAMAPTCRHR1TDP1

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 S1PR4 1055/4885NPC1 1824/4885LMNA 4189/4885
US-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 S1PR4 902/4885NPC1 528/4885LMNA 4152/4885

“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.