SCHEMBL6496068

SCHEMBL6496068

CCCC(=NOCC)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.34
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
DRD2 P14416 1/20 0.31
CRHR1 P34998 4/20 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
SCHEMBL14031234 1.00 DRD4 (0.34) DRD4RXRARXRBRXRGDRD2
SCHEMBL5046966 0.90
SCHEMBL14031274 0.90
SCHEMBL5043187 0.81 CRHR1 (0.37) RXRARXRBRXRGCRHR1
SCHEMBL5043789 0.79 CRHR1 (0.32) CRHR1
SCHEMBL5043790 0.79 CRHR1 (0.32) CRHR1
SCHEMBL5039792 0.77 CYP2D6 (0.34) CRHR1
SCHEMBL14031276 0.77 CYP2D6 (0.34) CRHR1
SCHEMBL14049592 0.77 CYP2D6 (0.34) CRHR1
SCHEMBL5043160 0.76 CRHR1 (0.31) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197330-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2005-09-08 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-20050197330-A1 Heterocyclic GABAA subtype selective receptor modulators GABRA2, GABRA1, GABRA5 DRD4 524/4885RXRA 659/4885RXRB 595/4885

“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.