SCHEMBL5100104

SCHEMBL5100104

COCCN1CCC2CN(c3ccc(Cl)cc3Cl)c3nc(C)nc1c32

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.64
SIGMAR1 Q99720 1/20 0.35
CYP3A4 P08684 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
CNR2 P34972 4/20 0.35
CNR1 P21554 3/20 0.35
TLR8 Q9NR97 1/20 0.35
KCNH2 Q12809 1/20 0.34
GHSR Q92847 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 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
SCHEMBL5103262 0.85 CRHR1 (0.67) CRHR1
SCHEMBL5102914 0.82 CRHR1 (0.69) CRHR1
SCHEMBL5106141 0.80 CRHR1 (0.88) CRHR1
SCHEMBL5103479 0.78 CRHR1 (1.00) CRHR1
SCHEMBL5771408 0.78 CRHR1 (0.63) CRHR1CNR2CNR1
SCHEMBL5099557 0.77 CRHR1 (0.67) CRHR1MAPT
SCHEMBL5099472 0.75 CRHR1 (0.76) CRHR1
SCHEMBL5106053 0.73 CRHR1 (0.87) CRHR1
SCHEMBL5098771 0.73 CRHR1 (0.55) CRHR1
SCHEMBL5106940 0.71 CRHR1 (0.57) 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 8 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 claimed
EP-1383498-B1 CRF RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2006-03-15 EP claimed
US-20040235871-A1 Crf receptor antagonists GLAXO GROUP LIMITED (GB) 2004-11-25 US claimed
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
EP-1383498-A1 CRF RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-01-28 EP disclosed
WO-2002087573-A1 CRF RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-11-07 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 (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 1/4885SIGMAR1 64/4885CYP3A4 1405/4885

“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.