SCHEMBL409069

SCHEMBL409069

Cc1ccccc1N1CCCNCC1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.86
HTR7 P34969 3/20 0.65
HTR3A P46098 7/20 0.59
HTR1A P08908 6/20 0.59
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
NCF1 P14598 1/20 0.55
HTR6 P50406 2/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
DRD2 P14416 1/20 0.53
CYP2C19 P33261 1/20 0.53
DRD3 P35462 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51

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
Hydrochloric Acid SCHEMBL18043576 0.98 ADRB1 (0.83) ADRB1HTR7HTR3AHTR1ACYP1A2
SCHEMBL29432760 0.93 ADRB1 (1.00) ADRB1HTR7HTR3AHTR1ACYP1A2
SCHEMBL4896 0.93 ADRB1 (1.00) ADRB1HTR7HTR3AHTR1ACYP1A2
SCHEMBL2209183 0.93 ADRB1 (1.00) ADRB1HTR7HTR3AHTR1ACYP1A2
Hydrochloric Acid SCHEMBL314296 0.91 ADRB1 (0.96) ADRB1HTR7HTR3AHTR1ACYP1A2
Hydrochloric Acid SCHEMBL615080 0.91 ADRB1 (0.96) ADRB1HTR7HTR3AHTR1ACYP1A2
Hydrochloric Acid SCHEMBL30182987 0.91 ADRB1 (0.96) ADRB1HTR7HTR3AHTR1ACYP1A2
Bromide SCHEMBL10672999 0.91 ADRB1 (0.96) ADRB1HTR7HTR3AHTR1ACYP1A2
Hydrochloric Acid SCHEMBL615079 0.91 ADRB1 (0.96) ADRB1HTR7HTR3AHTR1ACYP1A2
SCHEMBL9310335 0.86 ADRB1 (0.87) ADRB1HTR7HTR3AHTR1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938262-B2 Benzamides MERCK PATENT GMBH (DE) 2018-04-10 US disclosed
EP-3263568-A1 BENZAMIDES Merck Patent GmbH (DE) 2018-01-03 EP disclosed
EP-2509600-B1 THERAPEUTICALLY ACTIVE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CHARACTERIZED AS HAVING AN IDH MUTATION AGIOS PHARMACEUTICALS INC (US) 2017-08-02 EP disclosed
US-20170022191-A1 BENZAMIDES MERCK PATENT GMBH (DE) 2017-01-26 US disclosed
US-9498475-B2 Benzamides MERCK PATENT GMBH (DE) 2016-11-22 US disclosed
US-20160022670-A1 BENZAMIDES MERCK PATENT GMBH (DE) 2016-01-28 US disclosed
US-9181226-B2 Benzamides MERCK PATENT GMBH (DE) 2015-11-10 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
EP-2432769-B1 N-PHENYL-(PIPERAZINYL OR HOMOPIPERAZINYL)-BENZENESULFONAMIDE OR BENZENESULFONYL-PHENYL-(PIPERAZINE OR HOMOPIPERAZINE) COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBVIE DEUTSCHLAND (DE) 2015-04-01 EP disclosed
US-8877745-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-8076326-B2 N-phenyl- (piperazinyl or homopiperazinyl)-benzenesulfonamide or benzenesulfonyl-phenl-(piperazine or homopiperazine) compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor ABBOTT GMBH & CO. KG (DE) 2011-12-13 US disclosed
US-8039459-B2 especially dimethylphenylpiperazinium; treating a variety of pulmonary diseases with fewer side effects than other anti-inflammatory drugs, such as steroids UNIVERSITE LAVAL (CA) 2011-10-18 US disclosed
WO-2010125134-A1 N-PHENYL-(PIPERAZINYL OR HOMOPIPERAZINYL)-BENZENESULFONAMIDE OR BENZENESULFONYL-PHENYL-(PIPERAZINE OR HOMOPIPERAZINE) COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2010-11-04 WO disclosed
US-20100280014-A1 N-PHENYL- (PIPERAZINYL OR HOMOPIPERAZINYL)-BENZENESULFONAMIDE OR BENZENESULFONYL-PHENL-(PIPERAZINE OR HOMOPIPERAZINE) COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2010-11-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20080221085-A1 Nicotinic Receptor Agonists for the Treatment of Inflammatory Diseases UNIVERSITE LAVAL (CA) 2008-09-11 US disclosed
US-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 US disclosed
EP-1773779-A1 NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSITE LAVAL (CA) 2007-04-18 EP disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
WO-2006005195-A1 NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSITé LAVAL (CA) 2006-01-19 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 (6 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-20160022670-A1 BENZAMIDES FSHR, GNRHR, LHCGR ADRB1 294/4885HTR7 577/4885HTR3A 1247/4885
US-20170022191-A1 BENZAMIDES FSHR, GNRHR, LHCGR ADRB1 294/4885HTR7 577/4885HTR3A 1247/4885
US-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 ADRB1 1750/4885HTR7 1320/4885HTR3A 1342/4885
US-20080221085-A1 Nicotinic Receptor Agonists for the Treatment of Inflammatory Diseases CHRNA1, CHRNG, CHRM1 ADRB1 20/4885HTR7 239/4885HTR3A 259/4885
US-20100280014-A1 N-PHENYL- (PIPERAZINYL OR HOMOPIPERAZINYL)-BENZENESULFONAMIDE OR BENZENESULFONYL-PHENL-(PIPERAZINE OR HOMOPIPERAZINE) COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR2C, HTR5A ADRB1 427/4885HTR7 15/4885HTR3A 11/4885
US-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 ADRB1 241/4885HTR7 3237/4885HTR3A 3772/4885

“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.