SCHEMBL1186589

SCHEMBL1186589

CN(C)C=CC(=O)c1ccc(O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.70
RAB9A P51151 5/20 0.70
LMNA P02545 5/20 0.70
CYP1A2 P05177 2/20 0.70
CYP2C19 P33261 2/20 0.70
RECQL P46063 2/20 0.70
HPGD P15428 2/20 0.70
ALOX12 P18054 1/20 0.70
ALDH1A1 P00352 9/20 0.66
HTT P42858 2/20 0.65
NPC1 O15118 3/20 0.62
KMT2A Q03164 3/20 0.62
POLB P06746 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MEN1 O00255 1/20 0.60
HSP90AA1 P07900 1/20 0.60
GAA P10253 2/20 0.58
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
TLR9 Q9NR96 1/20 0.56

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
SCHEMBL1186588 1.00 MAPT (0.70) MAPTRAB9ALMNACYP1A2CYP2C19
SCHEMBL23251385 0.92 MAPT (0.81) MAPTRAB9ALMNACYP1A2CYP2C19
SCHEMBL29176328 0.84 MAPT (0.70) MAPTRAB9ALMNACYP1A2CYP2C19
SCHEMBL12914243 0.84 MAPT (0.70) MAPTRAB9ALMNACYP1A2CYP2C19
SCHEMBL4894903 0.84 RECQL (0.75) MAPTRAB9ALMNACYP1A2CYP2C19
SCHEMBL801273 0.84 MAPT (0.70) MAPTRAB9ALMNACYP1A2CYP2C19
SCHEMBL4894896 0.84 RECQL (0.75) MAPTRAB9ALMNACYP1A2CYP2C19
SCHEMBL7364598 0.84 MAPT (0.70) MAPTRAB9ALMNACYP1A2CYP2C19
SCHEMBL949564 0.82 MAPT (0.68) MAPTRAB9ALMNACYP1A2CYP2C19
SCHEMBL14745638 0.82 MAPT (0.68) MAPTRAB9ALMNACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297129-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2013-07-24 EP disclosed
US-8343990-B2 Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-01-01 US disclosed
US-20110028501-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2011-02-03 US disclosed
US-20040242633-A1 Beta3 adrenergic agonists EVERS BRITTA (DE) 2004-12-02 US disclosed
US-6730792-B2 PYRIDINE DERIVATIVES; ANTIDIABETIC, ANTICHOLESTEROL, AND ANTIINFLAMMATORY AGENTS; DECYCLIZATION, DEETHERIFICATION; OBESITY; RAISES HIGH DENSITY LIPOPROTEINS; LOWERS TRIGLYCERIDE LEVELS ELI LILLY AND COMPANY 2004-05-04 US disclosed
US-20030191156-A1 Beta3 adrenergic agonists JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2003-10-09 US disclosed
EP-1303509-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-23 EP disclosed
WO-2002006276-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2002-01-24 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 (3 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-20030191156-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 MAPT 1813/4885RAB9A 1936/4885LMNA 1807/4885
US-20110028501-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR27, GPR139 MAPT 4061/4885RAB9A 1180/4885LMNA 2917/4885
US-20040242633-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 MAPT 2096/4885RAB9A 2066/4885LMNA 1764/4885

“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.