SCHEMBL293428

SCHEMBL293428

[CH2]COc1ccc(C)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 4/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPK1 P28482 2/20 0.41
ESR1 P03372 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 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
SCHEMBL5258185 0.83 DRD2 (0.51) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL3763682 0.81 DRD2 (0.58) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL7471717 0.81 NPC1 (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL11348622 0.81 MCL1 (0.59) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL17637581 0.79 DRD2 (0.61) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL143430 0.79 NQO1 (0.59) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL8778611 0.78 DRD2 (0.51) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL14536644 0.77 RAB9A (0.51) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL27762926 0.77 ALDH1A1 (0.53) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL22322049 0.77 ALDH1A1 (0.41) DRD2DRD4DRD3RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671089-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2010-03-02 US claimed
US-20100004332-A1 Levodopa Prodrugs, and Compositions and Uses Thereof XENOPORT, INC. (US) 2010-01-07 US claimed
US-20080103200-A1 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-05-01 US claimed
US-7323585-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-01-29 US claimed
US-20060020028-A1 Levodopa prodrugs, and compositions and uses thereof ARBOR PHARMACEUTICALS, LLC 2006-01-26 US claimed
WO-2005121070-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2005-12-22 WO claimed
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-8598162-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-12-03 US disclosed
CN-102850336-A DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMA CO LTD 2013-01-02 CN disclosed
EP-2287161-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
EP-2287162-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-2284169-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-03-14 EP disclosed
US-20060020028-A1 Levodopa prodrugs, and compositions and uses thereof ARBOR PHARMACEUTICALS, LLC 2006-01-26 US disclosed
WO-2005121070-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2005-12-22 WO disclosed
US-5090994-A HETEROCYCLIC COMPOUNDS AND HERBICIDAL COMPOSITIONS CONTAINING THE COMPOUNDS AS EFFECTIVE COMPONENTS AGRO-KANESHO CO., LTD. (JP) 1992-02-25 US disclosed
EP-0384973-A2 Heterocyclic compounds, method for preparing the same and herbicidal compositions containing the compounds as effective components AGRO-KANESHO CO., LTD. (JP) 1990-09-05 EP disclosed
EP-0078462-B1 1,2,4,6-THIATRIAZINE-1,1 DIOXIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTI-GROWTH AGENTS FOR UNWANTED PLANTS BASF Aktiengesellschaft (DE) 1986-01-15 EP disclosed
US-4472191-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1984-09-18 US disclosed
EP-0078462-A1 1,2,4,6-Thiatriazine-1,1 dioxides, process for their preparation and their use as anti-growth agents for unwanted plants BASF Aktiengesellschaft (DE) 1983-05-11 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 (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-20060020028-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC DRD2 70/4885DRD4 109/4885DRD3 144/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 DRD2 139/4885DRD4 181/4885DRD3 161/4885
US-20080103200-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC DRD2 70/4885DRD4 109/4885DRD3 144/4885
US-20100004332-A1 Levodopa Prodrugs, and Compositions and Uses Thereof COMT, DDT, DDC DRD2 70/4885DRD4 109/4885DRD3 144/4885

“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.