SCHEMBL6740232

SCHEMBL6740232

CCc1nc2c(-c3ccc(Cl)cc3Cl)n[nH]c(=O)c2n1C(CC)CC

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.45
OPRL1 P41146 1/20 0.41

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
SCHEMBL6923700 0.87
SCHEMBL6742523 0.80 CRHR1 (0.50) CRHR1OPRL1
SCHEMBL6929345 0.79 CRHR1 (0.49) CRHR1
SCHEMBL7032138 0.75 CRHR1 (0.46) CRHR1
SCHEMBL6738043 0.75 CRHR1 (0.43) CRHR1
SCHEMBL6738719 0.74
SCHEMBL6739299 0.73 CRHR1 (0.43) CRHR1OPRL1
SCHEMBL7035545 0.71
SCHEMBL7028959 0.68 CRHR1 (0.46) CRHR1
SCHEMBL6732895 0.67

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-20040023965-A1 Imidazo-triazines as corticotropin releasing factor antagonists GILLIGAN PAUL JOSEPH (US) 2004-02-05 US disclosed
EP-1140929-B1 1H-IMIDAZO 4,5-D]PYRIDAZIN-7-ONES, 3H-IMIDAZO 4,5-C]PYRIDIN-4-ONES AND CORRESPONDING THIONES AS CORTICOTROPIN RELEASING FACTOR (CRF) RECEPTOR LIGANDS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-10-15 EP disclosed
US-6579876-B2 Imidazo(4,5-d)pyridazines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-17 US disclosed
US-20030055059-A1 For therapy of psychiatric disorders and neurological diseases including affective disorder, anxiety, depression, headache, irritable bowel syndrome, post-traumatic stress disorder, supranuclear palsy, immune suppression, Alzheimer's disease GILLIGAN PAUL JOSEPH (US) 2003-03-20 US disclosed
US-6521636-B1 Treatment of psychiatric disorders and neurological diseases BRISTOL-MYERS SQUIBB COMPANY 2003-02-18 US disclosed
US-6518271-B1 1H-imidazo[4,5-d]pyridazin-7-one, and corresponding thiones as corticotropin releasing factor (CRF) receptor ligands BRISTOL-MYERS SQUIBB COMPANY 2003-02-11 US disclosed
US-6365589-B1 FOR THERAPY OF PSYCHIATRIC DISORDERS AND NEUROLOGICAL DISEASES INCLUDING AFFECTIVE DISORDER, ANXIETY, DEPRESSION, HEADACHE, IRRITABLE BOWEL SYNDROME, POST-TRAUMATIC STRESS DISORDER, SUPRANUCLEAR PALSY, IMMUNE SUPPRESSION, ALZHEIMER'S DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-02 US disclosed
US-6271380-B1 TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC, NEUROLOGICAL DISORDERS AS WELL IMMUNOLOGICAL, CARDIOVASCULAR OR HEART-RELATED DISEASES AND COLONIC HYPERSENSITIVITY ASSOCIATED WITH PSYCHOPATHOLOGICAL DISTURBANCE AND STRESS. DUPONT PHARMACEUTICALS COMPANY 2001-08-07 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 (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-20040023965-A1 Imidazo-triazines as corticotropin releasing factor antagonists CRH, CRHR1, CRHR2 CRHR1 2/4885OPRL1 52/4885
US-20030055059-A1 For therapy of psychiatric disorders and neurological diseases including affective disorder, anxiety, depression, headache, irritable bowel syndrome, post-traumatic stress disorder, supranuclear palsy, immune suppression, Alzheimer's disease CRH, PCNP, CRHR1 CRHR1 3/4885OPRL1 136/4885

“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.