SCHEMBL696471

SCHEMBL696471

COc1cc(F)ccc1-c1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.45
SYK P43405 1/20 0.45
CYP2D6 P10635 2/20 0.42
GRIN2B Q13224 2/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP4B1 P13584 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP3A5 P20815 1/20 0.41
CYP2A7 P20853 1/20 0.41
CYP3A7 P24462 1/20 0.41
CYP2F1 P24903 1/20 0.41
CYP2C18 P33260 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP2J2 P51589 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
SCHEMBL5326539 0.87 ERN1 (0.52) SYKCYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL6609680 0.83 KCNH2 (0.53) KCNH2SYKCYP2D6CYP1A1CYP1A2
SCHEMBL696108 0.81 CYP1A1 (0.62) SYKCYP2D6CYP1A1CYP1A2CYP2E1
SCHEMBL13422804 0.81 FFAR4 (0.49) KCNH2SYKCYP2D6GRIN2BCYP1A1
SCHEMBL694802 0.81 PTGS2 (0.42)
SCHEMBL11689848 0.80 ESR2 (0.56) KCNH2SYKCYP2D6CYP1A1CYP1A2
SCHEMBL11690934 0.80 SYK (0.47) KCNH2SYKCYP2D6GRIN2BCYP1A1
SCHEMBL11425087 0.80 CYP11B1 (0.55) KCNH2SYKCYP2D6GRIN2BERN1
SCHEMBL26698533 0.80 KCNH2 (0.43) KCNH2SYKCYP2D6GRIN2BCYP1A1
SCHEMBL533511 0.79 APP (0.48) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US claimed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US claimed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-8604017-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-12-10 US disclosed
US-20130102585-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-04-25 US disclosed
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US disclosed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US disclosed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 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 (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-20130102585-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KCNH2 894/4885SYK 2096/4885CYP2D6 855/4885
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KCNH2 894/4885SYK 2096/4885CYP2D6 855/4885

“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.