SCHEMBL26706255

SCHEMBL26706255

c1cc(N2CCN(CC3CCC3)CC2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.53
CYP17A1 P05093 1/20 0.51
CYP21A2 P08686 1/20 0.51
CYP11B1 P15538 1/20 0.51
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
CASP1 P29466 1/20 0.46
CASP4 P49662 1/20 0.46
CASP5 P51878 1/20 0.46
ADRB2 P07550 1/20 0.44
NCF1 P14598 1/20 0.44
PLD1 Q13393 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL26706256 0.95 CHKA (0.52) CHKACYP17A1CYP21A2CYP11B1DRD2
SCHEMBL1779036 0.83 CCR2 (0.49) CHKACYP17A1CYP21A2CYP11B1
SCHEMBL13648737 0.83 DRD2 (0.59) DRD2DRD3
SCHEMBL7787432 0.81 ITGB3 (0.53) CYP17A1CYP21A2CYP11B1DRD2DRD3
SCHEMBL29941581 0.80 ADRB2 (0.62) CHKACYP17A1CYP21A2CYP11B1DRD2
SCHEMBL22848094 0.79 DRD2 (0.59) DRD2DRD3
SCHEMBL22848104 0.78 DRD2 (0.58) DRD2DRD3
SCHEMBL7787450 0.77 DRD2 (0.46) CYP17A1CYP21A2CYP11B1DRD2DRD3
SCHEMBL22542091 0.77 MAPT (0.51) DRD2DRD3CASP1CASP4CASP5
SCHEMBL7791797 0.76 DRD2 (0.45) CYP17A1CYP21A2CYP11B1DRD2DRD3

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-20230339874-A1 PIPERAZINYL COMPOUNDS AND METHODS FOR TREATING NEMATODE INFECTIONS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2023-10-26 US disclosed
US-20230339874-A1 PIPERAZINYL COMPOUNDS AND METHODS FOR TREATING NEMATODE INFECTIONS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2023-10-26 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-20230339874-A1 PIPERAZINYL COMPOUNDS AND METHODS FOR TREATING NEMATODE INFECTIONS EPX, EGLN3, NISCH CHKA 1061/4885CYP17A1 600/4885CYP21A2 721/4885

“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.