SCHEMBL5844087

SCHEMBL5844087

COC(=O)c1c(Cl)cc(C)nc1Oc1ccc(Cl)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
S1PR4 O95977 1/20 0.46
TTR P02766 1/20 0.45
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
IGF1R P08069 2/20 0.42
SLC6A3 Q01959 2/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL6796886 0.81 GAA (0.41) GAAHPGDS1PR4SLC6A2SLC6A4
SCHEMBL5843617 0.79 IRAK4 (0.44) GAAHPGDS1PR4SLC6A2SLC6A4
SCHEMBL5843612 0.79 IRAK4 (0.44) GAAHPGDS1PR4SLC6A2SLC6A4
SCHEMBL5843906 0.78 KMT2A (0.46) GAAKMT2AMAPTLMNAALDH1A1
SCHEMBL24683932 0.78 SLC6A2 (0.44) TTRSLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL24683512 0.76 TTR (0.41) TTRSLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL5843236 0.75 CRHR1 (0.43) KMT2AMAPTLMNAALDH1A1
SCHEMBL5845155 0.75 TTR (0.43) S1PR4TTRSLC6A2SLC6A4SLC6A3
SCHEMBL6792226 0.74 RXFP1 (0.41) GAAHPGDSLC6A2SLC6A4IGF1R
SCHEMBL5844032 0.74 POLB (0.39) S1PR4KMT2AMAPTLMNAALDH1A1

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 GAA 2029/4885HPGD 3224/4885S1PR4 1055/4885
US-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 GAA 1321/4885HPGD 2063/4885S1PR4 902/4885

“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.