SCHEMBL3029003

SCHEMBL3029003

O=C1c2ccccc2C(=O)N1CCCCN1CCN(c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 1.00
HTR7 P34969 1/20 0.69
KCNH2 Q12809 1/20 0.68

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
SCHEMBL8084154 0.98 HTR1A (1.00) HTR1AHTR7KCNH2
SCHEMBL7986148 0.97 HTR1A (1.00) HTR1AHTR7
SCHEMBL3026254 0.91 HTR1A (0.83) HTR1A
SCHEMBL11631929 0.89 HTR7 (0.82) HTR1AHTR7
SCHEMBL14028451 0.89 HTR1A (0.79) HTR1A
SCHEMBL21802068 0.89 HTR1A (0.80) HTR1AHTR7
SCHEMBL12124719 0.89 HTR1A (0.80) HTR1A
SCHEMBL11838777 0.88 HTR7 (0.84) HTR1AHTR7
SCHEMBL11837243 0.88 HTR7 (0.84) HTR1AHTR7
SCHEMBL9377848 0.88 HTR1A (0.77) HTR1A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP claimed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO claimed
US-8227604-B2 Hybrid 2-aminotetralin and aryl-substituted piperazine compounds and their use in altering CNS activity WAYNE STATE UNIVERSITY (US) 2012-07-24 US disclosed
US-20100210663-A1 Hybrid 2-Aminotetralin and Aryl-Substituted Piperazine Compounds and their Use in Altering CNS Activity WAYNE STATE UNIVERSITY (US) 2010-08-19 US disclosed
US-7723519-B2 Hybrid 2-aminoterailin and aryl-substituted piperazine compounds and their use in altering CNS activity WAYNE STATE UNIVERSITY (US) 2010-05-25 US disclosed
US-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2010-02-04 US disclosed
US-20080051409-A1 Indolizine Carboxamides and Aza and Diaza Derivatives Thereof SCHWARZ PHARMA AG (DE) 2008-02-28 US disclosed
US-20070299091-A1 Azaindole Carboxamides GMEINER PETER 2007-12-27 US disclosed
US-20060020132-A1 Hybrid 2-aminoterailin and aryl-substituted piperazine compounds and their use in altering CNS activity WAYNE STATE UNIVERSITY (US) 2006-01-26 US disclosed
US-6982332-B2 Hybrid 2-aminotetralin and aryl-substituted piperazine compounds and their use in altering CNS activity WAYNE STATE UNIVERSITY (US) 2006-01-03 US disclosed
US-20030195219-A1 Hybrid 2-aminotetralin and aryl-substituted piperazine compounds and their use in altering cns activity WAYNE STATE UNIVERSITY 2003-10-16 US disclosed
WO-2002098367-A2 HYBRID 2-AMINOTETRALIN AND ARYL-SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE IN ALTERING CNS ACTIVITY WAYNE STATE UNIVERSITY (US) 2002-12-12 WO disclosed
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
US-6057371-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-05-02 US disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP disclosed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 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-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME DRD3, CHRNA3, CHRM3 HTR1A 66/4885HTR7 119/4885KCNH2 1015/4885
US-20030195219-A1 Hybrid 2-aminotetralin and aryl-substituted piperazine compounds and their use in altering cns activity HTR3A, HTR3C, HTR2C HTR1A 18/4885HTR7 9/4885KCNH2 1208/4885
US-20070299091-A1 Azaindole Carboxamides TPH1, TPH2, HTR1A HTR1A 3/4885HTR7 19/4885KCNH2 1223/4885
US-20100210663-A1 Hybrid 2-Aminotetralin and Aryl-Substituted Piperazine Compounds and their Use in Altering CNS Activity HTR3A, HTR3C, HTR2C HTR1A 17/4885HTR7 9/4885KCNH2 1204/4885
US-20080051409-A1 Indolizine Carboxamides and Aza and Diaza Derivatives Thereof GRIN2A, GRIN2C, GRIN1 HTR1A 14/4885HTR7 184/4885KCNH2 839/4885
US-20060020132-A1 Hybrid 2-aminoterailin and aryl-substituted piperazine compounds and their use in altering CNS activity HTR3A, DRD3, DRD2 HTR1A 46/4885HTR7 10/4885KCNH2 1371/4885

“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.