SCHEMBL22409697

SCHEMBL22409697

COc1ccc(CN(CCCC(=O)O)c2cc(C=O)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.44
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
BMP1 P13497 2/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
LTB4R Q15722 1/20 0.37
MAOB P27338 1/20 0.36
FFAR1 O14842 1/20 0.36
CETP P11597 1/20 0.36

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
SCHEMBL20182405 0.89 LTB4R2 (0.42) LTB4R2RXRABMP1MAOBCETP
SCHEMBL20570505 0.80 LTB4R2 (0.42) LTB4R2RXRARXRBRXRGUSP2
SCHEMBL25802749 0.76 TSPO (0.46) PPARGPPARA
SCHEMBL20137115 0.72 LTB4R2 (0.44) LTB4R2PPARGBMP1MAOBCETP
SCHEMBL28880216 0.71 BCL2A1 (0.41) USP2TSHRPPARGPPARDPPARA
SCHEMBL7793185 0.70 RAB9A (0.47) RXRARXRBRXRGBMP1MAOB
SCHEMBL31057445 0.70 TSPO (0.52)
SCHEMBL20137411 0.70 LTB4R2 (0.40) LTB4R2RXRABMP1
SCHEMBL9172532 0.69 MEP1B (0.58) USP2TSHRBMP1LTB4RFFAR1
SCHEMBL31057599 0.69 BCL2A1 (0.46)

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-11059822-B2 MAGL inhibitors H. LUNDBECK A/S (DK) 2021-07-13 US disclosed
US-20200291023-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2020-09-17 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 (2 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-11059822-B2 MAGL inhibitors MAG, MAGI3, MGLL LTB4R2 2100/4885RXRA 2778/4885RXRB 2555/4885
US-20200291023-A1 MAGL INHIBITORS MAG, MAGI3, MGLL LTB4R2 2100/4885RXRA 2778/4885RXRB 2555/4885

“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.