SCHEMBL7218557

SCHEMBL7218557

CCC(COC)n1nnc2c(Cl)nc(C)nc21

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.40
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 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
SCHEMBL7945728 0.89 CRHR1 (0.37) CRHR1ALDH1A1TSHR
SCHEMBL7625265 0.80 CRHR1 (0.36) CRHR1ALDH1A1TSHR
SCHEMBL21886138 0.79 LMNA (0.43) CRHR1CNR2ALDH1A1TSHR
SCHEMBL21886137 0.78 CRHR1 (0.52) CRHR1ALDH1A1
SCHEMBL22106778 0.77 CRHR1 (0.39) CRHR1
SCHEMBL7218772 0.76 CRHR1 (0.58) CRHR1
SCHEMBL7218775 0.76 CRHR1 (0.58) CRHR1
SCHEMBL21886413 0.75 CRHR1 (0.58) CRHR1ALDH1A1
SCHEMBL21886229 0.75 LMNA (0.36) CRHR1CNR2ALDH1A1
SCHEMBL7570558 0.75 CNR2 (0.38) CRHR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6525056-B2 A fused nitrogen containing heterocyclic compound useful for treating psychiatric and neurological disorders, anxiety, post-traumatic stress, supranuclear palsy, feeding, immunological, cardiovascular and hypersensitivity disorders BRISTOL-MYERS SQUIBB COMPANY 2003-02-25 US disclosed
US-6448261-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS; TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC AND NEUROLOGICAL DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-10 US disclosed
EP-1012151-B1 HETEROCYCLYL-SUBSTITUTED RING-FUSED PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING HORMONE (CRH) ANTAGONISTS, USEFUL FOR TREATING CNS AND STRESS-RELATED DISORDERS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-08-07 EP disclosed
US-20010025042-A1 Heterocyclyl-substituted ring-fused pyridines and pyrimidines as corticotropin releasing hormone (CRH) antagonists, useful for treating cns and stress-related disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-09-27 US disclosed
US-6245769-B1 Heterocyclyl-substituted ring-fused pyridines and pyrimidines as corticotropin releasing hormone(CRH) antagonists, useful for treating CNS and stress-related disorders DUPONT PHARMACEUTICALS COMPANY 2001-06-12 US disclosed
US-6107300-A CORTICOTROPIN RELEASING FACTOR ANTAGONIST; PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 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-20010025042-A1 Heterocyclyl-substituted ring-fused pyridines and pyrimidines as corticotropin releasing hormone (CRH) antagonists, useful for treating cns and stress-related disorders CRH, CRHR1, CRHR2 CRHR1 2/4885CNR2 190/4885ALDH1A1 4453/4885

“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.