SCHEMBL5844690

SCHEMBL5844690

CCC(COC)Nc1cc(C)nc(Oc2ccc(Cl)cc2OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.42
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
S1PR4 O95977 1/20 0.39
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5844489 0.87 CRHR1 (0.43) CRHR1
SCHEMBL5844006 0.84 CRHR1 (0.55) CRHR1
SCHEMBL5844294 0.82 CRHR1 (0.46) CRHR1
SCHEMBL5843223 0.81 CRHR1 (0.49) CRHR1
SCHEMBL6400645 0.80 CRHR1 (0.48) CRHR1
SCHEMBL6798214 0.79 SLC6A4 (0.43) CRHR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6796886 0.78 GAA (0.41) CRHR1SLC6A2SLC6A4S1PR4KMT2A
SCHEMBL5843194 0.78 IRAK4 (0.42) CRHR1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6792226 0.78 RXFP1 (0.41) CRHR1SLC6A2SLC6A4KMT2A
SCHEMBL6798867 0.78 GAA (0.50) CRHR1SLC6A2SLC6A4SLC6A3KMT2A

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 10 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-20050197618-A1 IMPROVED BUFFER GEL FOR IONTOPHORESIS ELECTRODES IOMED, INC. (US) 2005-09-08 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 (3 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 3/4885SLC6A2 261/4885SLC6A4 222/4885
US-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 CRHR1 3/4885SLC6A2 71/4885SLC6A4 89/4885
US-20050197618-A1 IMPROVED BUFFER GEL FOR IONTOPHORESIS ELECTRODES MMP1, NHERF1, SLC9A1 CRHR1 475/4885SLC6A2 377/4885SLC6A4 972/4885

“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.