SCHEMBL6773897

SCHEMBL6773897

COCCN(CCOC)c1nc(C)nc(Oc2c(Br)cc(C(C)C)cc2Br)n1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 0.58

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
SCHEMBL6774526 0.92 CRHR1 (0.53) CRHR1
SCHEMBL6781524 0.82 CRHR1 (0.60) CRHR1
SCHEMBL6775547 0.77 CRHR1 (0.54) CRHR1
SCHEMBL6774956 0.76 CRHR1 (0.39) CRHR1
SCHEMBL6777461 0.76 CRHR1 (0.39) CRHR1
SCHEMBL6775942 0.76 CRHR1 (0.42) CRHR1
SCHEMBL6781165 0.74 CRHR1 (0.49) CRHR1
SCHEMBL18173916 0.67 CRHR1 (0.44) CRHR1
SCHEMBL7066145 0.66 CRHR1 (0.32) CRHR1
SCHEMBL13865241 0.64 HSD17B10 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020040026-A1 Aryloxy-and arylthiosubstituted pyrimidines and triazines and derivatives thereof DUPONT PHARMACEUTICALS COMPANY 2002-04-04 US claimed
US-6326368-B1 PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY 2001-12-04 US claimed
EP-0920318-A4 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF DU PONT PHARM CO (US) 2000-03-15 EP claimed
EP-0920318-A1 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF Du Pont Pharmaceuticals Company (US) 1999-06-09 EP claimed
WO-1997035580-A1 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-02 WO claimed
US-6818648-B2 PSYCHOLOGICAL DISORDERS; ANXIOLYTIC AGENTS; ANTIDEPRESSANTS; EATING DISORDERS; ALCOHOLISM; DRUG ABUSE; ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-11-16 US disclosed
US-20030191125-A1 Aryloxy- and arylthiosubstituted pyrimidines and triazines and derivatives thereof BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-10-09 US disclosed
US-20020040026-A1 Aryloxy-and arylthiosubstituted pyrimidines and triazines and derivatives thereof DUPONT PHARMACEUTICALS COMPANY 2002-04-04 US disclosed
US-6326368-B1 PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY 2001-12-04 US disclosed
EP-0920318-A4 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF DU PONT PHARM CO (US) 2000-03-15 EP disclosed
EP-0920318-A1 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF Du Pont Pharmaceuticals Company (US) 1999-06-09 EP disclosed
WO-1997035580-A1 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-02 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-20030191125-A1 Aryloxy- and arylthiosubstituted pyrimidines and triazines and derivatives thereof PARL, HTR5A, PSEN2 CRHR1 51/4885
US-20020040026-A1 Aryloxy-and arylthiosubstituted pyrimidines and triazines and derivatives thereof PARL, HTR5A, PSEN2 CRHR1 53/4885

“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.