SCHEMBL6840172

SCHEMBL6840172

CC(=O)c1cc2cc(C)ccc2s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.69
DYRK1B Q9Y463 5/20 0.69
CLK1 P49759 4/20 0.69
CYP2A6 P11509 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
CHRNA7 P36544 2/20 0.47
HTR3A P46098 2/20 0.47
LMNA P02545 1/20 0.45
FLT3 P36888 1/20 0.44

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
SCHEMBL2801905 0.85 BCL2L1 (0.59) DYRK1ADYRK1BCLK1CYP2A6HDAC3
SCHEMBL17149287 0.84 CYP2A6 (0.50) DYRK1ADYRK1BCLK1CYP2A6HDAC3
SCHEMBL4745481 0.84 DYRK1A (0.50) DYRK1ADYRK1BCLK1CYP2A6HDAC3
SCHEMBL17149302 0.82 HDAC1 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4161689 0.81 DYRK1A (1.00) DYRK1ADYRK1BCLK1LMNAHSD17B1
SCHEMBL17149297 0.81 HDAC1 (0.59) DYRK1ADYRK1BCLK1CYP2A6HDAC3
SCHEMBL17149304 0.81 HDAC3 (0.47) DYRK1ADYRK1BCLK1CYP2A6HDAC3
SCHEMBL17325491 0.81 LMNA (0.69) DYRK1ADYRK1BCLK1CYP2A6HDAC3
SCHEMBL2895953 0.81 MEN1 (0.64) DYRK1ADYRK1BCLK1CYP2A6HDAC3
SCHEMBL7547924 0.81 TRPM8 (0.51) DYRK1ADYRK1BCLK1CYP2A6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969709-B2 Guanidinobenzoic acid ester compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-15 US disclosed
US-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND ASTELLAS PHARMA INC. (JP) 2016-02-04 US disclosed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
US-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2014-08-28 US disclosed
US-8741887-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-06-03 US disclosed
US-8722658-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-05-13 US disclosed
US-8623858-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-01-07 US disclosed
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-09-19 US disclosed
US-20130237517-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-09-12 US disclosed
US-20130217669-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (US) 2013-08-22 US disclosed
US-8367653-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-02-05 US disclosed
US-8362000-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US disclosed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US disclosed
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US disclosed
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
US-5440046-A Angiotensin antagonist, hypotensive agent HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-08 US disclosed
EP-0450566-B1 Substituted azoles, method for their preparation, these containing compositions and their use HOECHST AG (DE) 1995-07-05 EP disclosed
US-5350751-A Hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-27 US disclosed
EP-0450566-A1 Substituted azoles, method for their preparation, these containing compositions and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-09 EP 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 (9 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-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA DYRK1A 1829/4885DYRK1B 1988/4885CLK1 2316/4885
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA DYRK1A 1829/4885DYRK1B 1988/4885CLK1 2316/4885
US-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND SERPINB1, REN, SPINT2 DYRK1A 2921/4885DYRK1B 2467/4885CLK1 3495/4885
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA DYRK1A 1829/4885DYRK1B 1988/4885CLK1 2316/4885
US-20130217669-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA DYRK1A 1829/4885DYRK1B 1988/4885CLK1 2316/4885
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA DYRK1A 1829/4885DYRK1B 1988/4885CLK1 2316/4885
US-20130237517-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA DYRK1A 1829/4885DYRK1B 1988/4885CLK1 2316/4885
US-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA DYRK1A 1829/4885DYRK1B 1988/4885CLK1 2316/4885
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA DYRK1A 1829/4885DYRK1B 1988/4885CLK1 2316/4885

“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.