SCHEMBL40119

SCHEMBL40119

COc1ccc(C(F)(F)F)cc1CN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
RAB9A P51151 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
FFAR1 O14842 1/20 0.45
FFAR2 O15552 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
IDO1 P14902 2/20 0.44
SCN9A Q15858 1/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.42
ADRA1A P35348 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 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
Hydrochloric Acid SCHEMBL30117084 0.98 L3MBTL1 (0.46) L3MBTL1RAB9AHDAC3HDAC1HDAC2
SCHEMBL40215 0.86 HTR2A (0.46) L3MBTL1RAB9AMAPTNPSR1IDO1
SCHEMBL29673193 0.86 HTR2A (0.46) L3MBTL1RAB9AMAPTNPSR1IDO1
SCHEMBL31265271 0.84 ATM (0.44) L3MBTL1IDO1HTR2AADRA1ATAAR1
SCHEMBL31265270 0.84 ATM (0.44) L3MBTL1IDO1HTR2AADRA1ATAAR1
SCHEMBL13890597 0.84 ATM (0.44) L3MBTL1IDO1HTR2AADRA1ATAAR1
SCHEMBL9886157 0.84 HDAC3 (0.50) L3MBTL1RAB9AHDAC3HDAC1HDAC2
SCHEMBL2637443 0.83 IDO1 (0.41) L3MBTL1RAB9AMAPTNPSR1IDO1
SCHEMBL22786911 0.82 TAAR1 (0.42) IDO1HTR2AADRA1ATAAR1ATM
SCHEMBL4064597 0.82 HDAC3 (0.49) L3MBTL1RAB9AHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210155593-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY REGENACY PHARMACEUTICALS LLC (US) 2021-05-27 US disclosed
US-20210155593-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY REGENACY PHARMACEUTICALS LLC (US) 2021-05-27 US disclosed
US-10858323-B2 HDAC inhibitors for the treatment of diabetic peripheral neuropathy REGENACY PHARMACEUTICALS, LLC (US) 2020-12-08 US disclosed
US-10858323-B2 HDAC inhibitors for the treatment of diabetic peripheral neuropathy REGENACY PHARMACEUTICALS, LLC (US) 2020-12-08 US disclosed
US-20190106392-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY ACETYLON PHARMACEUTICALS, INC. 2019-04-11 US disclosed
US-20190106392-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY ACETYLON PHARMACEUTICALS, INC. 2019-04-11 US disclosed
EP-3368026-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY Acetylon Pharmaceuticals, Inc. (US) 2018-09-05 EP disclosed
US-10040769-B2 HDAC inhibitors for the treatment of diabetic peripheral neuropathy REGENACY PHARMACEUTICALS, LLC (US) 2018-08-07 US disclosed
US-10040769-B2 HDAC inhibitors for the treatment of diabetic peripheral neuropathy REGENACY PHARMACEUTICALS, LLC (US) 2018-08-07 US disclosed
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
EP-2366392-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2007-12-27 US disclosed
EP-1716127-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2006-11-02 EP disclosed
EP-1318811-B1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2006-08-30 EP disclosed
WO-2005082871-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2005-09-09 WO disclosed
EP-1318811-A4 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2004-07-14 EP disclosed
EP-1318811-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2003-06-18 EP disclosed
US-6545023-B2 For treating rheumatoid arthritis; for examle, 1-(4-(4-fluorophenyl)piperidin-1-yl),3-(2-methoxy-4 -chlorobenzylaminocarbonyl),3-isopropyl-cyclopentane MERCK & CO., INC. 2003-04-08 US disclosed
US-20020049222-A1 Cyclopentyl modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-04-25 US disclosed
WO-2002013824-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2002-02-21 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 (6 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-20020049222-A1 Cyclopentyl modulators of chemokine receptor activity CCR1, CCRL2, CCR5 L3MBTL1 4071/4885RAB9A 1427/4885HDAC3 956/4885
US-20210155593-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY HDAC4, HDAC5, HDAC9 L3MBTL1 3450/4885RAB9A 3722/4885HDAC3 7/4885
US-10040769-B2 HDAC inhibitors for the treatment of diabetic peripheral neuropathy HDAC4, HDAC5, HDAC9 L3MBTL1 3450/4885RAB9A 3722/4885HDAC3 7/4885
US-20190106392-A1 HDAC INHIBITORS FOR THE TREATMENT OF DIABETIC PERIPHERAL NEUROPATHY HDAC4, HDAC5, HDAC9 L3MBTL1 3450/4885RAB9A 3722/4885HDAC3 7/4885
US-10858323-B2 HDAC inhibitors for the treatment of diabetic peripheral neuropathy HDAC4, HDAC5, HDAC9 L3MBTL1 3450/4885RAB9A 3722/4885HDAC3 7/4885
US-20070299074-A1 Guanidine Compounds, and Use Thereof as Binding partners for 5-Ht5 Receptors HTR5A, GRM5, TAAR5 L3MBTL1 2611/4885RAB9A 1420/4885HDAC3 4792/4885

“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.