SCHEMBL6082899

SCHEMBL6082899

CC[C@H](COC)Nc1nccc(Cl)c1N

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 17/20 0.39
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
PDE1B Q01064 2/20 0.33
PDE1A P54750 1/20 0.33
PDE1C Q14123 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
SCHEMBL6082203 0.82 CRHR1 (0.52) CRHR1
SCHEMBL6082089 0.80 CRHR1 (0.48) CRHR1
SCHEMBL6082392 0.79 CRHR1 (0.36) CRHR1TAS1R3TAS1R1
SCHEMBL6082397 0.79 CRHR1 (0.36) CRHR1TAS1R3TAS1R1
SCHEMBL6082518 0.79 CRHR1 (0.36) CRHR1PDE1B
SCHEMBL6082317 0.79 CRHR1 (0.38) CRHR1PDE1B
SCHEMBL6083293 0.78 CRHR1 (0.44) CRHR1PDE1B
SCHEMBL6082224 0.78 CRHR1 (0.41) CRHR1
SCHEMBL6084344 0.77 CRHR1 (0.52) CRHR1
SCHEMBL7484060 0.77 CRHR1 (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067658-B2 Pyridino and pyrimidino pyrazinones BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-27 US disclosed
US-20040082784-A1 Pyridino and pyrimidino pyrazinones BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-29 US disclosed
WO-2004031189-A1 PYRIDINO AND PYRIMIDINO PYRAZINONES FOR TREATMENT OF ANXIETY AND DEPRESSION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2004-04-15 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-20040082784-A1 Pyridino and pyrimidino pyrazinones CRHR1, CRHR2, CRH CRHR1 1/4885TAS1R3 791/4885TAS1R1 618/4885

“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.