SCHEMBL7217425

SCHEMBL7217425

COCC[C@@H](COC)Nc1cc(C)nc(Cl)c1N

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.33
CRHR1 P34998 2/20 0.32
GRM5 P41594 2/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31

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
SCHEMBL7217428 1.00 NCF1 (0.33) NCF1CRHR1GRM5TAS1R3TAS1R1
SCHEMBL7224417 0.79 LMNA (0.33) GRM5
SCHEMBL7222310 0.79 LMNA (0.33) GRM5
SCHEMBL7478626 0.79 CRHR1 (0.39) CRHR1
SCHEMBL7472507 0.79 CRHR1 (0.45) CRHR1
SCHEMBL7478036 0.75 CRHR1 (0.37) CRHR1
SCHEMBL23547380 0.74 NR4A2 (0.49)
SCHEMBL7624509 0.69 CRHR1 (0.54) CRHR1
Hydrochloric Acid SCHEMBL7624850 0.69 LMNA (0.34) CRHR1
SCHEMBL5845050 0.68 CRHR1 (0.37) CRHR1TAS1R3TAS1R1

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-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
EP-1012151-A1 HETEROCYCLYL-SUBSTITUTED RING-FUSED PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING HORMONE (CRH) ANTAGONISTS, USEFUL FOR TREATING CNS AND STRESS-RELATED DISORDERS Dupont Pharmaceuticals Company (US) 2000-06-28 EP disclosed
WO-1999011643-A1 HETEROCYCLYL-SUBSTITUTED RING-FUSED PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING HORMONE (CRH) ANTAGONISTS, USEFUL FOR TREATING CNS AND STRESS-RELATED DISORDERS DU PONT PHARMACEUTICALS COMPANY (US) 1999-03-11 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 (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 NCF1 1846/4885CRHR1 2/4885GRM5 99/4885

“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.