SCHEMBL4935809

SCHEMBL4935809

CCC(CC)Nc1cncc(C)n1.Cl[Ni]Cl.c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.35
CRHR1 P34998 2/20 0.34
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34

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
SCHEMBL4628396 0.77 FYN (0.47) FYNCRHR1HCAR3HCAR2
SCHEMBL6328 0.69 CYP3A4 (0.38)
Hydrochloric Acid SCHEMBL8876479 0.68 CYP3A4 (0.36)
SCHEMBL19031749 0.68 CYP3A4 (0.36)
SCHEMBL4784282 0.67 FYN (0.41) FYNCRHR1HCAR3HCAR2
SCHEMBL3394776 0.66 TDP1 (0.34)
SCHEMBL1248411 0.66 TDP1 (0.34)
SCHEMBL6445751 0.66 CYP3A4 (0.38)
SCHEMBL196880 0.66 CYP3A4 (0.38)
SCHEMBL21140560 0.66 FYN (0.38) FYNCRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands NEUROGEN CORPORATION (US) 2008-01-17 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-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands CRHR1, CRHR2, CRHBP FYN 3789/4885CRHR1 1/4885HCAR3 468/4885

“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.