SCHEMBL26706262

SCHEMBL26706262

FC(F)(F)c1cccc(N2CCN(CC3CCCCC3)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.70
KDM4E B2RXH2 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C19 P33261 2/20 0.60
OPRM1 P35372 1/20 0.60
OPRK1 P41145 1/20 0.60
OPRL1 P41146 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
ATM Q13315 1/20 0.60
SIGMAR1 Q99720 2/20 0.56
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
ALOX12 P18054 1/20 0.56
POLB P06746 2/20 0.55
ALDH1A1 P00352 3/20 0.54

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
SCHEMBL26706275 0.99 NPSR1 (0.72) NPSR1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL13648724 0.93 NPSR1 (0.75) NPSR1KDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL10988547 0.92 NPSR1 (0.73) NPSR1KDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL10995121 0.92 NPSR1 (0.73) NPSR1KDM4ECYP1A2CYP3A4CYP2D6
Oxalic Acid SCHEMBL10993447 0.86 NPSR1 (0.66) NPSR1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1778042 0.85 NPSR1 (0.61) NPSR1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1778044 0.85 NPSR1 (0.61) NPSR1KDM4ECYP1A2CYP3A4CYP2D6
Maleic Acid SCHEMBL10990506 0.83 NPSR1 (0.62) NPSR1KDM4ECYP1A2CYP3A4CYP2D6
Fumaric Acid SCHEMBL10990532 0.83 NPSR1 (0.62) NPSR1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL13698448 0.83 NPSR1 (1.00) NPSR1KDM4ECYP1A2CYP3A4CYP2D6

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 NPSR1 522/4885KDM4E 2456/4885CYP1A2 135/4885

“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.