SCHEMBL5845155

SCHEMBL5845155

COC(=O)c1c(Cl)cc(C)[n+]([O-])c1Oc1ccc(Cl)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.43
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
S1PR4 O95977 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
KCNH2 Q12809 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 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
SCHEMBL5844593 0.78 CYP3A4 (0.33) MEN1KMT2AALDH1A1TP53LMNA
SCHEMBL5842822 0.76 ALDH1A1 (0.35) ALDH1A1TP53LMNA
SCHEMBL5844087 0.75 GAA (0.46) TTRSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL5845054 0.72 CYP3A4 (0.38) KMT2AALDH1A1LMNA
SCHEMBL24683932 0.70 SLC6A2 (0.44) TTRSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL24683512 0.68 TTR (0.41) TTRSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL24682926 0.68 MAPT (0.39) TTRSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL17063602 0.68 GAA (0.47) MEN1KMT2AALDH1A1TP53TDP1
SCHEMBL15094277 0.67 SLC6A4 (0.48) TTRSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL26604916 0.65 GAA (0.47) MEN1KMT2AALDH1A1TP53TDP1

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 8 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-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 TTR 2658/4885SLC6A2 261/4885SLC6A4 222/4885
US-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 TTR 758/4885SLC6A2 71/4885SLC6A4 89/4885

“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.