SCHEMBL6738704

SCHEMBL6738704

CCn1nc2nc(CCC(C)OC)nc-2c(-c2ccc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.35
GCGR P47871 7/20 0.34
DPP4 P27487 2/20 0.33
BACE1 P56817 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
SCHEMBL6738799 0.87 CNR1 (0.41) CRHR1
SCHEMBL6740017 0.74 CRHR1 (0.40) CRHR1GCGRDPP4
SCHEMBL6741034 0.74 CRHR1 (0.39) CRHR1GCGRDPP4
SCHEMBL7852517 0.73 PDE2A (0.38) CRHR1
SCHEMBL6733650 0.72 CRHR1 (0.33) CRHR1GCGR
SCHEMBL7075525 0.62 CNR1 (0.39) CRHR1
SCHEMBL6738646 0.61 CRHR1 (0.39) CRHR1
SCHEMBL7216594 0.59 CRHR1 (0.42) CRHR1
SCHEMBL5423220 0.59 CRHR1 (0.56) CRHR1
SCHEMBL12871458 0.59 GRM2 (0.40) 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 5 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
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-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

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 2/4885GCGR 83/4885DPP4 902/4885
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 3/4885GCGR 1664/4885DPP4 2381/4885

“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.