SCHEMBL6743067

SCHEMBL6743067

CCn1nc2ncnc-2c(-c2ccc(Cl)cc2Cl)c1CCC(C)OC

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
CRHR1 P34998 10/20 0.32

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
SCHEMBL6734550 0.90 CRHR1 (0.35) CRHR1
SCHEMBL6733464 0.78 MARS1 (0.37) MARS1CRHR1
SCHEMBL6733701 0.72 CRHR1 (0.43) CRHR1
SCHEMBL6739224 0.71 CRHR1 (0.42) MARS1CRHR1
SCHEMBL6738799 0.69 CNR1 (0.41) CRHR1
SCHEMBL6736506 0.66 CRHR1 (0.35) CRHR1
SCHEMBL6732894 0.65 CRHR1 (0.37) CRHR1
SCHEMBL7078222 0.63 CRHR1 (0.42) CRHR1
SCHEMBL6733471 0.61 CRHR1 (0.35) CRHR1
SCHEMBL6741081 0.59 CRHR1 (0.38) 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 4 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-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 (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-20040023965-A1 Imidazo-triazines as corticotropin releasing factor antagonists CRH, CRHR1, CRHR2 MARS1 2332/4885HTR2C 87/4885SLC6A4 237/4885

“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.