SCHEMBL23217170

SCHEMBL23217170

O=C(O)N1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.57
TDO2 P48775 1/20 0.57
ADRB1 P08588 1/20 0.54
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.50
FFAR4 Q5NUL3 2/20 0.50
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
TSHR P16473 3/20 0.49
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 3/20 0.48
AKR1C3 P42330 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL5376583 0.91 FFAR4 (0.54) IDO1TDO2ADRB1LMNAHTT
SCHEMBL3310630 0.89 IDO1 (0.51) IDO1TDO2ADRB1LMNAHTT
SCHEMBL7142366 0.89 IDO1 (0.51) IDO1TDO2ADRB1LMNAHTT
SCHEMBL23217289 0.89 FFAR4 (0.55) IDO1TDO2ADRB1LMNAHTT
SCHEMBL20568131 0.84 IDO1 (0.47) IDO1TDO2ADRB1LMNAHTT
SCHEMBL631027 0.84 LMNA (0.70) LMNAHTTTSHRALDH1A1NPSR1
SCHEMBL19386233 0.83 NOTUM (0.51) IDO1TDO2LMNAHTTTSHR
SCHEMBL3327045 0.83 IDO1 (0.57) IDO1TDO2LMNAHTTCA12
SCHEMBL1458650 0.83 CA12 (0.71) IDO1TDO2CA12CA2CA9
SCHEMBL20568467 0.80 MEN1 (0.47) IDO1TDO2LMNAHTTNPSR1

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-20240124400-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2024-04-18 US disclosed
WO-2021072369-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2021-04-15 WO 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-20240124400-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME CFH, LPAR3, CBR3 IDO1 3991/4885TDO2 1534/4885ADRB1 2441/4885

“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.