SCHEMBL5113634

SCHEMBL5113634

Cc1nc(Cl)c2c(n1)N(c1ccc(Cl)cc1Cl)CCC2CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.52
NOTUM Q6P988 2/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
TLR8 Q9NR97 3/20 0.34
CNR1 P21554 1/20 0.34
HTT P42858 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
SCHEMBL5054348 0.86 CRHR1 (0.40) CRHR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5105894 0.84 CRHR1 (0.52) CRHR1NOTUMTLR8HTTSMN1; SMN2
SCHEMBL5107062 0.83 CRHR1 (0.46) CRHR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5054127 0.80 CRHR1 (0.44) CRHR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5100161 0.79 CRHR1 (0.47) CRHR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5106990 0.79 CRHR1 (0.51) CRHR1NOTUMHTTSMN1; SMN2
SCHEMBL5112592 0.79 CRHR1 (0.51) CRHR1NOTUMCNR1HTTSMN1; SMN2
SCHEMBL5112568 0.79 CRHR1 (0.43) CRHR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5055712 0.76 CRHR1 (0.40) CRHR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2193222 0.76 CRHR1 (0.49) CRHR1TUBB4ATUBBTUBA3CTUBA1B

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 1/4885NOTUM 3993/4885TUBB4A 4774/4885

“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.