SCHEMBL19629613

SCHEMBL19629613

Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(CC[C@H]3C)C2)n1C

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.75
DRD3 P35462 14/20 0.71
KCNH2 Q12809 9/20 0.71
CYP2D6 P10635 4/20 0.71
CHRM1 P11229 3/20 0.71
CHRM3 P20309 3/20 0.71
CYP3A4 P08684 2/20 0.69

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
SCHEMBL20840923 1.00 DRD2 (0.75) DRD2DRD3KCNH2CYP2D6CHRM1
SCHEMBL19629586 0.92 DRD2 (0.76) DRD2DRD3KCNH2CYP2D6CHRM1
SCHEMBL17712724 0.86 DRD2 (1.00) DRD2DRD3KCNH2CYP2D6CHRM1
SCHEMBL17725368 0.86 DRD2 (1.00) DRD2DRD3KCNH2CYP2D6CHRM1
SCHEMBL17725367 0.86 DRD2 (1.00) DRD2DRD3KCNH2CYP2D6CHRM1
SCHEMBL17713011 0.86 DRD2 (1.00) DRD2DRD3KCNH2CYP2D6CHRM1
SCHEMBL17725365 0.86 DRD2 (1.00) DRD2DRD3KCNH2CYP2D6CHRM1
SCHEMBL17725348 0.86 DRD2 (1.00) DRD2DRD3KCNH2CYP2D6CHRM1
Hydrochloric Acid SCHEMBL19612708 0.85 DRD2 (0.98) DRD2DRD3KCNH2CYP2D6CHRM1
SCHEMBL21419051 0.84 DRD2 (0.77) DRD2DRD3KCNH2CYP2D6CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000477-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2018-06-19 US disclosed
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2017-11-23 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 (2 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-10000477-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 DRD2 2/4885DRD3 1/4885KCNH2 1283/4885
US-20170334895-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 DRD2 2/4885DRD3 1/4885KCNH2 1283/4885

“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.