SCHEMBL693451

SCHEMBL693451

FC(F)(c1cc[c]cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
PTPN1 P18031 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
KCNN4 O15554 3/20 0.36
KIF11 P52732 1/20 0.36
LTA4H P09960 1/20 0.35
MAPK1 P28482 1/20 0.32
RORC P51449 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
PTPN5 P54829 1/20 0.31
TRPV6 Q9H1D0 1/20 0.30
CYP1A2 P05177 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
ALOX15 P16050 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL1108511 0.84 TSHR (0.65) TSHRALDH1A1PTPN1CA1CA2
SCHEMBL3324812 0.81 TSHR (0.44) TSHRALDH1A1PTPN1CA1CA2
SCHEMBL28021962 0.81 TSHR (0.61) TSHRALDH1A1PTPN1CA1CA2
SCHEMBL10839861 0.79 KCNN4 (0.39) TSHRALDH1A1PTPN1KCNN4MAPK1
SCHEMBL2834337 0.79 KCNN4 (0.39) TSHRALDH1A1PTPN1KCNN4MAPK1
SCHEMBL294517 0.75 ESR1 (0.54) TSHRALDH1A1KCNN4MAPK1TAAR1
SCHEMBL8309862 0.75 TSHR (0.48) TSHRALDH1A1KCNN4MAPK1CYP1A2
SCHEMBL82940 0.75 TSHR (0.48) TSHRALDH1A1KCNN4MAPK1CYP1A2
SCHEMBL5726099 0.75 CYP2C19 (0.40) TSHRALDH1A1PTPN1KCNN4MAPK1
SCHEMBL2164357 0.75 ESR1 (0.54) TSHRALDH1A1KCNN4MAPK1TAAR1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741887-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-06-03 US claimed
US-20130123232-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-05-16 US claimed
US-8367653-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-02-05 US claimed
CN-102459230-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-05-16 CN claimed
EP-2421851-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-02-29 EP claimed
US-20110059940-A1 2-Aryl Glycinamide Derivatives BRISTOL- MYERS SQUIBB COMPANY 2011-03-10 US claimed
EP-2278878-A1 2-ARYL GLYCINAMIDE DERIVATIVES Bristol-Myers Squibb Company (US) 2011-02-02 EP claimed
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124102-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
WO-2009137657-A1 2-ARYL GLYCINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-12 WO claimed
US-8741887-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-06-03 US disclosed
US-20130123232-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-05-16 US disclosed
US-8367653-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-02-05 US disclosed
CN-102459230-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-05-16 CN disclosed
EP-2421851-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-02-29 EP disclosed
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
WO-2010124102-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2009137657-A1 2-ARYL GLYCINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-12 WO disclosed
US-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESSELLSCHAFT (DE) 2009-04-30 US disclosed
US-4046656-A Photochlorination process for methyl aromatic compounds THE DOW CHEMICAL COMPANY (US) 1977-09-06 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 (4 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-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES PGLS, INMT, PNMT TSHR 3810/4885ALDH1A1 4028/4885PTPN1 2576/4885
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA TSHR 2931/4885ALDH1A1 364/4885PTPN1 1550/4885
US-20110059940-A1 2-Aryl Glycinamide Derivatives IAPP, APP, BACE1 TSHR 2970/4885ALDH1A1 3029/4885PTPN1 1504/4885
US-20130123232-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA TSHR 2931/4885ALDH1A1 364/4885PTPN1 1550/4885

“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.