SCHEMBL3146478

SCHEMBL3146478

Cc1ccc(OCCBr)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 2/20 0.47
MAPT P10636 4/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 3/20 0.44
PDIA6 Q15084 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6656968 0.88 DRD2 (0.53) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL3763682 0.87 DRD2 (0.58) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL17637581 0.85 DRD2 (0.61) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL25261232 0.84 SMN1; SMN2 (0.49) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL18472260 0.84 MRGPRX4 (0.46) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL26023458 0.84 NPC1 (0.48) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL4608317 0.82 NPC1 (0.45) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL4608319 0.82 PDIA6 (0.44) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL15760678 0.81 KDM4E (0.53) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL469900 0.81 DRD2 (0.53) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371322-B2 Bicyclic aza-amides for treatment of psychiatric disorders MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-06-21 US disclosed
US-20150183786-A1 BICYCLIC AZA-AMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-GESSELSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) 2015-07-02 US disclosed
US-7671089-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2010-03-02 US disclosed
US-20100004332-A1 Levodopa Prodrugs, and Compositions and Uses Thereof XENOPORT, INC. (US) 2010-01-07 US disclosed
US-20080103200-A1 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-05-01 US disclosed
US-7323585-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-01-29 US 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
EP-0874805-B1 PHENYLACETAMIDE DERIVATIVES KOREA RES INST CHEM TECH (KR) 2000-09-20 EP disclosed
US-5973201-A ANALGESICS; ANTIINFLAMMATORY AGENTS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-10-26 US disclosed
EP-0874805-A1 PHENYLACETAMIDE DERIVATIVES Korea Research Institute of Chemical Technology (KR) 1998-11-04 EP disclosed
WO-1997021668-A1 PHENYLACETAMIDE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1997-06-19 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-0252876-A1 Hydrogenated 1-phenoxyalkylpyridine-3-carboxylic-acid compounds CIBA-GEIGY AG (CH) 1988-01-13 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-20080103200-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC DRD2 70/4885DRD4 109/4885DRD3 144/4885
US-20150183786-A1 BICYCLIC AZA-AMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS BDNF, MAOA, HDAC10 DRD2 111/4885DRD4 568/4885DRD3 380/4885
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.