SCHEMBL7724260

SCHEMBL7724260

O=C(O)c1ccc2c(c1)CCC2Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.50
ESR2 Q92731 4/20 0.50
NR4A2 P43354 2/20 0.49
MRGPRX4 Q96LA9 3/20 0.47
PTGER4 P35408 2/20 0.45
PTGER2 P43116 2/20 0.45
PPARA Q07869 2/20 0.44
PPARD Q03181 1/20 0.44
SRD5A2 P31213 1/20 0.44
TBXA2R P21731 1/20 0.43
NLRP3 Q96P20 1/20 0.41
PPARG P37231 1/20 0.41
KDM4C Q9H3R0 1/20 0.41

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
SCHEMBL7728047 0.88 ESR1 (0.51) ESR1ESR2MRGPRX4PPARAPPARD
SCHEMBL7745124 0.74 CYP26A1 (0.66) ESR1ESR2
SCHEMBL13092162 0.73 ADRA2A (0.53) ESR1ESR2PPARDSRD5A2
SCHEMBL6840223 0.71 PTGER4 (0.64) NR4A2PTGER4PTGER2NLRP3KDM4C
SCHEMBL16298245 0.71 MRGPRX4 (0.66) NR4A2MRGPRX4SRD5A2KDM4C
SCHEMBL6641847 0.71 FFAR1 (0.48) ESR1ESR2PPARAPPARD
SCHEMBL6840363 0.70 TSHR (0.64) NR4A2MRGPRX4SRD5A2NLRP3
SCHEMBL2721465 0.70 NR4A2 (0.66) NR4A2MRGPRX4PTGER4PTGER2SRD5A2
SCHEMBL16193413 0.70 CYP19A1 (0.45) NR4A2PTGER4PTGER2SRD5A2TBXA2R
SCHEMBL29202295 0.70 SRD5A2 (0.64) NR4A2MRGPRX4SRD5A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426401-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV 2013-04-23 US disclosed
US-8426401-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV 2013-04-23 US disclosed
US-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
US-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 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-20100324011-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ESR1 2868/4885ESR2 2261/4885NR4A2 4177/4885

“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.