SCHEMBL3256565

SCHEMBL3256565

COc1cc(C(C)(C)N)c(OC)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.46
TAAR1 Q96RJ0 3/20 0.46
HTR2C P28335 2/20 0.46
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR2B P41595 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 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
SCHEMBL8499602 0.83 LMNA (0.59) HTR2ATAAR1HTR2CPOLBL3MBTL1
SCHEMBL5297130 0.83 CYP3A4 (0.47) HTR2AHTR2CMAPTLMNATP53
SCHEMBL30073419 0.80 LMNA (0.46) HTR2ATAAR1HTR2CPOLBL3MBTL1
SCHEMBL17749691 0.80 LMNA (0.46) HTR2ATAAR1HTR2CPOLBL3MBTL1
SCHEMBL3134566 0.80 HTR2A (0.43) HTR2AHTR2CMAPTNPSR1HTR2B
SCHEMBL23326154 0.78 HTR2A (0.51) HTR2ATAAR1HTR2CPOLBL3MBTL1
SCHEMBL29775360 0.78 HTR2A (0.51) HTR2ATAAR1HTR2CPOLBL3MBTL1
SCHEMBL298224 0.78 POLB (0.59) HTR2ATAAR1HTR2CPOLBL3MBTL1
SCHEMBL13169383 0.75 LMNA (0.53) HTR2ATAAR1HTR2CPOLBL3MBTL1
SCHEMBL5915652 0.74 GAA (0.44) POLBL3MBTL1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 US claimed
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines UNIV DUKE (US) 2015-01-22 US disclosed
US-8877802-B2 Antiparkinsonian action of phenylisopropylamines Duke Univerity (US) 2014-11-04 US disclosed
EP-0746332-B2 DNA ENCODING A HUMAN PANCREATIC POLYPEPTIDE RECEPTOR (Y4) AND USES THEREOF LUNDBECK & CO AS H (DK) 2010-05-19 EP disclosed
WO-2007016190-A2 ANTIPARKINSONIAN ACTION OF PHENYLISOPROPYLAMINES DUKE UNIVERSITY (US) 2007-02-08 WO disclosed
US-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 US disclosed
US-6913892-B1 Method of obtaining compositions comprising Y4 specific compounds H. LUNDBECK A/S (DK) 2005-07-05 US disclosed
US-20030166066-A1 DNA encoding a human serotonin receptor (5-HT4B) and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2003-09-04 US disclosed
US-6432655-B1 BINDING AND 5-HT RECEPTORS AND GENE EXPRESSION SYNAPTIC PHARMACEUTICAL CORPORATION 2002-08-13 US disclosed
US-20020081661-A1 DNA encoding 5-HT4 serotonin receptors and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-06-27 US disclosed
EP-0746332-B1 DNA ENCODING A HUMAN NEUROPEPTIDE Y/PEPTIDE YY/PANCREATIC POLYPEPTIDE RECEPTOR (Y4) AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2000-02-09 EP disclosed
US-5985585-A COMPETITIVE BINDING; DETECTION SYNAPTIC PHARMACEUTICAL COORPORATION (US) 1999-11-16 US disclosed
US-5976814-A SCREENING DRUGS FOR RECEPTOR AGONIST ACTIVITY BY INCUBATING CHEMICAL WITH NONNEURONAL CELLS EXPRESSING HUMAN OR RAT Y4 RECEPTOR ON SURFACE; MEASURING SECOND MESSENGER RESPONSE IN PRESENCE AND ABSENCE OF COMPOUND SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-11-02 US disclosed
US-5958709-A THIS INVENTION FURTHER PROVIDES METHODS FOR DETERMINING LIGAND BINDING, DETECTING EXPRESSION, DRUG SCREENING, AND TREATMENT INVOLVING THE HUMAN Y4 RECEPTOR. SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-09-28 US disclosed
US-5766879-A ISOLATED NUCLEIC ACID MOLECULE ENCODING SEROTONIN RECEPTORS; DETERMINING LIGAND BINDING, DETECTING EXPRESSION, DRUG SCREENING SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-06-16 US disclosed
EP-0746332-A4 DNA ENCODING A HUMAN NEUROPEPTIDE Y/PEPTIDE YY/PANCREATIC POLYPEPTIDE RECEPTOR (Y4) AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1997-02-26 EP disclosed
EP-0746332-A1 DNA ENCODING A HUMAN NEUROPEPTIDE Y/PEPTIDE YY/PANCREATIC POLYPEPTIDE RECEPTOR (Y4) AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-12-11 EP disclosed
US-5516653-A GENETIC ENGINEERING SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-05-14 US disclosed
US-5472866-A Genetic engineering SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1995-12-05 US disclosed
WO-1995017906-A1 DNA ENCODING A HUMAN NEUROPEPTIDE Y/PEPTIDE YY/PANCREATIC POLYPEPTIDE RECEPTOR (Y4) AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1995-07-06 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 (2 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-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT HTR2A 18/4885TAAR1 1075/4885HTR2C 44/4885
US-20150025063-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT HTR2A 18/4885TAAR1 1075/4885HTR2C 44/4885

“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.