SCHEMBL731081

SCHEMBL731081

O=C1CCN(Cc2ccccc2)CC1Br

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.62
SIGMAR1 Q99720 2/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2B Q13224 1/20 0.49
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ACHE P22303 2/20 0.44
BCHE P06276 1/20 0.44
BACE1 P56817 1/20 0.44
FUCA1 P04066 1/20 0.44

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
Bromide SCHEMBL2381446 0.98 TACR1 (0.61) TACR1SIGMAR1GRIN1GRIN2BCYP1A2
SCHEMBL1916659 0.87 ACHE (0.56) TACR1SIGMAR1ACHEBCHEBACE1
Bromide SCHEMBL548941 0.86 ACHE (0.54) TACR1SIGMAR1ACHEBCHEBACE1
SCHEMBL385325 0.81 TACR1 (0.62) TACR1SIGMAR1GRIN1GRIN2BCYP1A2
SCHEMBL16836134 0.81 SIGMAR1 (0.64) TACR1SIGMAR1GRIN1GRIN2BCYP1A2
SCHEMBL24036210 0.81 TACR1 (0.62) TACR1SIGMAR1GRIN1GRIN2BCYP1A2
SCHEMBL6943959 0.81 TACR1 (0.62) TACR1SIGMAR1GRIN1GRIN2BCYP1A2
SCHEMBL467266 0.81 TACR1 (0.62) TACR1SIGMAR1GRIN1GRIN2BCYP1A2
SCHEMBL6041583 0.79 TACR1 (0.61) TACR1SIGMAR1GRIN1GRIN2BCYP1A2
SCHEMBL1400959 0.79 TACR1 (0.61) TACR1SIGMAR1GRIN1GRIN2BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2017-02-09 US disclosed
US-9475782-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors AbbVie Deutschland GmbH & Co. KG (DE) 2016-10-25 US disclosed
EP-1716127-B1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2014-08-06 EP disclosed
US-20130324537-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT LABORATORIES (US) 2013-12-05 US disclosed
US-8524736-B2 Stereoisomeric compounds and methods for the treatment of gastrointestinal and central nervous system disorders ARMETHEON, INC. (US) 2013-09-03 US disclosed
US-8524736-B2 Stereoisomeric compounds and methods for the treatment of gastrointestinal and central nervous system disorders ARMETHEON, INC. (US) 2013-09-03 US disclosed
US-8481576-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors ABBOTT GMBH & CO. KG (DE) 2013-07-09 US disclosed
US-8431604-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors ABBOTT GMBH & CO. KG (DE) 2013-04-30 US disclosed
EP-2194053-B1 Methoxy piperidine derivatives for use inr the treatment of gastrointestinal and central nervous system disorders ARMETHEON INC (US) 2013-03-27 EP disclosed
EP-2194053-B1 Methoxy piperidine derivatives for use inr the treatment of gastrointestinal and central nervous system disorders ARMETHEON INC (US) 2013-03-27 EP disclosed
EP-1578341-A2 MODULATION OF CCR4 FUNCTION Tularik Inc. (US) 2005-09-28 EP disclosed
WO-2005082871-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2005-09-09 WO disclosed
US-20050197363-A1 Stereoisomeric compounds and methods for the treatment of gastrointestinal and central nervous system disorders ARYX THERAPEUTICS (US) 2005-09-08 US disclosed
US-20050176757-A1 Stereoisomeric compounds and methods for the treatment of gastrointestinal and central nervous system disorders ARYX THERAPEUTICS (US) 2005-08-11 US disclosed
WO-2005068461-A1 STEREOISOMERIC COMPOUNDS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS ARYX THERAPEUTICS (US) 2005-07-28 WO disclosed
US-20040039035-A1 Modulation of CCR4 function TULARIK INC. 2004-02-26 US disclosed
US-20030018022-A1 Ccr4 antagonists TULARIK INC. 2003-01-23 US disclosed
WO-2002094264-A1 CCR4 ANTAGONISTS TULARIK INC. (US) 2002-11-28 WO disclosed
US-20020173524-A1 Modulation of CCR4 function TULARIK INC. (US) 2002-11-21 US disclosed
WO-2002030358-A2 MODULATION OF CCR4 FUNCTION TULARIK INC. (US) 2002-04-18 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-20050176757-A1 Stereoisomeric compounds and methods for the treatment of gastrointestinal and central nervous system disorders CCKBR, GRPR, HRH2 TACR1 64/4885SIGMAR1 1311/4885GRIN1 378/4885
US-20130324537-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 TACR1 211/4885SIGMAR1 489/4885GRIN1 115/4885
US-20030018022-A1 Ccr4 antagonists CCR4, CCR1, CCR3 TACR1 318/4885SIGMAR1 1327/4885GRIN1 1589/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 TACR1 251/4885SIGMAR1 546/4885GRIN1 100/4885
US-20020173524-A1 Modulation of CCR4 function CCR4, CCR1, CCR3 TACR1 757/4885SIGMAR1 1916/4885GRIN1 1130/4885
US-20040039035-A1 Modulation of CCR4 function CCR4, CCR1, CCR3 TACR1 757/4885SIGMAR1 1916/4885GRIN1 1130/4885
US-20050197363-A1 Stereoisomeric compounds and methods for the treatment of gastrointestinal and central nervous system disorders CCKBR, GRPR, HRH2 TACR1 64/4885SIGMAR1 1311/4885GRIN1 378/4885

“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.