SCHEMBL5113294

SCHEMBL5113294

Cc1nc(Cl)c2c(n1)N(c1ccc(C(F)(F)F)cc1C(F)(F)F)CC2CCOS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.41
SRD5A1 P18405 2/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TRAP1 Q12931 1/20 0.30

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
SCHEMBL5103520 0.86 CRHR1 (0.42) CRHR1SRD5A1ALDH1A1LMNAMEN1
SCHEMBL5106637 0.82 CRHR1 (0.46) CRHR1
SCHEMBL5113025 0.82 CRHR1 (0.45) CRHR1SRD5A1TRAP1
SCHEMBL5051889 0.80 CRHR1 (0.37) CRHR1
SCHEMBL5100161 0.77 CRHR1 (0.47) CRHR1SRD5A1
SCHEMBL2190889 0.72 CRHR1 (0.54) CRHR1SRD5A1TRAP1
SCHEMBL5806699 0.72 CRHR1 (0.40) CRHR1
SCHEMBL5055712 0.71 CRHR1 (0.40) CRHR1
SCHEMBL4765655 0.68 MEN1 (0.34) ALDH1A1LMNAMEN1KMT2A
SCHEMBL5107062 0.67 CRHR1 (0.46) CRHR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329667-B2 A hexahydro-1,5,6,8-tetraaza-acenaphthylene or -1,3,4-triazaphenalene derivatives; treatment of depression and anxiety; inflammatory bowel disease; treatment of conditions mediated by corticotropin-releasing factor GLAXO GROUP LIMITED (GB) 2008-02-12 US disclosed
EP-1383498-B1 CRF RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2006-03-15 EP disclosed
US-20040235871-A1 Crf receptor antagonists GLAXO GROUP LIMITED (GB) 2004-11-25 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 (1 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-20040235871-A1 Crf receptor antagonists CRHR1, CRHR2, CRH CRHR1 1/4885SRD5A1 763/4885HCRTR1 12/4885

“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.