SCHEMBL7728047

SCHEMBL7728047

O=C(O)c1ccc2c(c1)CCC2Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.51
ESR2 Q92731 7/20 0.51
PPARD Q03181 3/20 0.51
PPARA Q07869 3/20 0.51
SRD5A2 P31213 2/20 0.46
MRGPRX4 Q96LA9 2/20 0.43
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL7724260 0.88 ESR1 (0.50) ESR1ESR2PPARDPPARASRD5A2
SCHEMBL13092162 0.74 ADRA2A (0.53) ESR1ESR2PPARDSRD5A2HTR6
SCHEMBL6641847 0.72 FFAR1 (0.48) ESR1ESR2PPARDPPARA
SCHEMBL5640708 0.71 PPARD (0.80) PPARDPPARA
SCHEMBL16193413 0.69 CYP19A1 (0.45) SRD5A2RXRARXRBRXRG
SCHEMBL14378629 0.69 PPARA (0.57) ESR1ESR2PPARDPPARA
SCHEMBL4819560 0.69 PPARA (0.57) ESR1ESR2PPARDPPARA
SCHEMBL6840333 0.68 ALOX5 (0.55)
SCHEMBL21743513 0.68 HDAC1 (0.55) ESR1ESR2PPARD
SCHEMBL29726906 0.68 ALDH1A1 (0.50) SRD5A2

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 2261/4885PPARD 452/4885

“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.