SCHEMBL5842886

SCHEMBL5842886

CCC(COC)Nc1cc(C)nc(Oc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.42
PDE2A O00408 3/20 0.36
MAPT P10636 3/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.34
TXNRD1 Q16881 1/20 0.34
LMNA P02545 1/20 0.33
PSD A5PKW4 1/20 0.33

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
SCHEMBL6429928 0.90 CRHR1 (0.43) CRHR1PDE2AMAPTMMP2MMP9
SCHEMBL5842960 0.87 CRHR1 (0.38) CRHR1MAPTKDM4EMAPK1TDP1
SCHEMBL5845747 0.80 CRHR1 (0.50) CRHR1
SCHEMBL5843244 0.79 CRHR1 (0.42) CRHR1MAPTKDM4EMAPK1TDP1
SCHEMBL5843332 0.78 S1PR4 (0.44) CRHR1MAPTTDP1LMNA
SCHEMBL5844565 0.75 CRHR1 (0.39) CRHR1MAPTKDM4EMAPK1TDP1
SCHEMBL5845050 0.75 CRHR1 (0.37) CRHR1MAPTKDM4EMAPK1TDP1
SCHEMBL5844295 0.75 CRHR1 (0.38) CRHR1MAPTKDM4EMAPK1TDP1
SCHEMBL6428567 0.74 CRHR1 (0.39) CRHR1MAPTLMNA
SCHEMBL5844211 0.73 CRHR1 (0.38) CRHR1MAPTMAPK1

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 6 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-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
US-20020016328-A1 Corticotropin releasing factor antagonists PFIZER INC. 2002-02-07 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 (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 3/4885PDE2A 731/4885MAPT 2253/4885
US-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 CRHR1 3/4885PDE2A 393/4885MAPT 1457/4885

“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.