SCHEMBL20890002

SCHEMBL20890002

CNC1CCc2ccc(SC)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.47
DRD2 P14416 4/20 0.47
DRD4 P21917 2/20 0.47
ACHE P22303 5/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35

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
SCHEMBL20890004 0.86 IDO1 (0.35) DRD3DRD2DRD4CA1CA2
SCHEMBL20909683 0.78 DRD3 (0.46) DRD3DRD2DRD4ACHECA1
SCHEMBL9776786 0.77 GRIN2B (0.50) DRD3DRD2DRD4ACHECA1
SCHEMBL20890009 0.75 CA1 (0.49) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL8056606 0.74 DRD2 (0.68) DRD3DRD2DRD4ACHECA1
SCHEMBL8056603 0.74 DRD2 (0.68) DRD3DRD2DRD4ACHECA1
SCHEMBL8056611 0.74 DRD2 (0.68) DRD3DRD2DRD4ACHECA1
SCHEMBL20890076 0.74 DRD2 (0.43) DRD3DRD2DRD4ACHECA1
SCHEMBL823055 0.73 MTNR1A (0.61) DRD3DRD2DRD4CA1CA2
SCHEMBL4606877 0.73 MTNR1A (0.61) DRD3DRD2DRD4CA1CA2

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-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 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-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 DRD3 4178/4885DRD2 4370/4885DRD4 4518/4885

“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.