SCHEMBL4317147

SCHEMBL4317147

Cc1ccc(F)c(OCCO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
MAPT P10636 5/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2C9 P11712 2/20 0.40
MAPK1 P28482 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TTR P02766 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C8 P10632 1/20 0.39
CHRM1 P11229 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
SCHEMBL8289826 0.85 MRGPRX4 (0.48) TSHRMAPTL3MBTL1ALDH1A1CYP2C9
SCHEMBL764961 0.83 MAPT (0.46) TSHRMAPTL3MBTL1ALDH1A1CYP2C9
SCHEMBL9596753 0.82 L3MBTL1 (0.51) TSHRMAPTL3MBTL1ALDH1A1CYP2C9
SCHEMBL15571929 0.82 KDM4E (0.39) TSHRMAPTL3MBTL1ALDH1A1CYP2C9
SCHEMBL8251583 0.81 L3MBTL1 (0.47) TSHRMAPTL3MBTL1ALDH1A1CYP2C9
SCHEMBL15571927 0.81 NPSR1 (0.43) TSHRMAPTL3MBTL1ALDH1A1CYP2C19
SCHEMBL516010 0.81 TSHR (0.64) TSHRL3MBTL1ALDH1A1CYP2C9HPGD
SCHEMBL2334724 0.81 ALOX5AP (0.44) L3MBTL1TDP1ALOX5APFEN1
SCHEMBL3268824 0.80 TSHR (0.62) TSHRL3MBTL1ALDH1A1CYP2C9MEN1
SCHEMBL3176774 0.80 TSHR (0.71) TSHRL3MBTL1ALDH1A1CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483263-B1 HETEROCYCLIC COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-07-18 EP disclosed
EP-2802576-B1 HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-27 EP disclosed
EP-2802577-B1 TRIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed
US-20160083375-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-03-24 US disclosed
US-9242976-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-9242975-B2 Heterocyclic-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-9102599-B2 N-((3-benzyl)-2,2-(bis-phenyl)-propan-1-amine derivatives as CETP inhibitors for the treatment of atherosclerosis and cardiovascular diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-11 US disclosed
US-8987311-B2 Triazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
US-20150045347-A1 TRIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-02-12 US disclosed
US-20150011532-A1 HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-01-08 US disclosed
US-7534794-B2 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM AB (SE) 2009-05-19 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-7071180-B2 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM AB (SE) 2006-07-04 US disclosed
EP-1178973-B1 PYRAZINYL-PIPERAZINE- COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2005-12-21 EP disclosed
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2004-12-02 US disclosed
US-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2003-05-15 US disclosed
US-6465467-B1 DISEASES RELATED TO THE 5-HT2C RECEPTOR, ESPECIALLY EATING, MEMORY, MOOD, URINARY AND ANXIETY DISORDERS, SCHIZOPHRENIA, PAIN, SEXUAL DYSFUNCTIONS BIOVITRUM AB (SE) 2002-10-15 US disclosed
EP-1178973-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia AB (SE) 2002-02-13 EP disclosed
WO-2000076984-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2000-12-21 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 (7 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-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases HTR2C, HTR3C, HTR2A TSHR 457/4885MAPT 4036/4885L3MBTL1 2883/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A TSHR 531/4885MAPT 3969/4885L3MBTL1 3082/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TSHR 2250/4885MAPT 4114/4885L3MBTL1 2178/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TSHR 2250/4885MAPT 4114/4885L3MBTL1 2178/4885
US-20150045347-A1 TRIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK3, IRAK1 TSHR 2409/4885MAPT 2020/4885L3MBTL1 1749/4885
US-20150011532-A1 HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK2 TSHR 2089/4885MAPT 2892/4885L3MBTL1 1642/4885
US-20160083375-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK3 TSHR 1420/4885MAPT 2007/4885L3MBTL1 944/4885

“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.