SCHEMBL23217289

SCHEMBL23217289

Cc1cc(N2CCN(C(=O)O)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.55
IDO1 P14902 1/20 0.51
TDO2 P48775 1/20 0.51
PHGDH O43175 5/20 0.50
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 4/20 0.48
HTT P42858 2/20 0.45
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL23217170 0.89 IDO1 (0.57) FFAR4IDO1TDO2PHGDHNPSR1
SCHEMBL5396452 0.84 LMNA (0.63) FFAR4PHGDHMEN1KMT2ALMNA
SCHEMBL5376583 0.84 FFAR4 (0.54) FFAR4IDO1TDO2NPSR1MEN1
SCHEMBL23228913 0.82 GPR119 (0.51) FFAR4PHGDHNPSR1MEN1CYP1A2
SCHEMBL7142366 0.82 IDO1 (0.51) FFAR4IDO1TDO2PHGDHNPSR1
SCHEMBL3310630 0.82 IDO1 (0.51) FFAR4IDO1TDO2NPSR1MEN1
SCHEMBL10104323 0.80 TP53 (0.50) FFAR4NPSR1MEN1CYP1A2CYP3A4
SCHEMBL19386233 0.80 NOTUM (0.51) IDO1TDO2PHGDHMEN1CYP3A4
SCHEMBL428031 0.80 ADRB1 (0.50) FFAR4PHGDHTSHRALDH1A1ADRB1
SCHEMBL12398720 0.79 ADRB1 (0.53) FFAR4PHGDHNPSR1MEN1CYP1A2

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 FFAR4 604/4885IDO1 3991/4885TDO2 1534/4885

“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.