SCHEMBL3025110

SCHEMBL3025110

NCCCCN1CCN(c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.90
KCNH2 Q12809 3/20 0.79
SIGMAR1 Q99720 5/20 0.68
HTR1A P08908 6/20 0.61
DRD2 P14416 3/20 0.61
HTR2A P28223 1/20 0.61
HRH1 P35367 1/20 0.61
DRD3 P35462 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61
HTR7 P34969 1/20 0.59
HSD17B10 Q99714 1/20 0.58

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
SCHEMBL11250712 0.98 CYP2D6 (0.87) CYP2D6KCNH2SIGMAR1HTR1ADRD2
Hydrochloric Acid SCHEMBL7971932 0.98 CYP2D6 (0.87) CYP2D6KCNH2SIGMAR1HTR1ADRD2
SCHEMBL11242236 0.98 CYP2D6 (0.87) CYP2D6KCNH2SIGMAR1HTR1ADRD2
SCHEMBL11355026 0.98 CYP2D6 (0.87) CYP2D6KCNH2SIGMAR1HTR1ADRD2
SCHEMBL5187793 0.95 CYP2D6 (1.00) CYP2D6KCNH2SIGMAR1HTR1ADRD2
Hydrochloric Acid SCHEMBL7986315 0.93 CYP2D6 (0.96) CYP2D6KCNH2SIGMAR1HTR1ADRD2
SCHEMBL4528457 0.89 KCNH2 (1.00) CYP2D6KCNH2SIGMAR1HTR1ADRD2
SCHEMBL10684565 0.87 CYP2D6 (0.79) CYP2D6KCNH2SIGMAR1HTR1ADRD2
SCHEMBL658968 0.87 CYP2D6 (0.79) CYP2D6KCNH2SIGMAR1HTR1ADRD2
SCHEMBL5988317 0.87 KCNH2 (0.88) CYP2D6KCNH2SIGMAR1HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1836192-A2 ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS Universita' Degli Studi di Siena (IT) 2007-09-26 EP claimed
WO-2006072608-A2 ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS UNIVERSITÁ DEGLI STUDI DI SIENA (IT) 2006-07-13 WO claimed
CN-111253325-A Amino quinazoline aryl piperazine compound and pharmaceutical composition and application thereof 广州大学 2020-06-09 CN disclosed
EP-2906221-B1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RES INST (US) 2019-05-15 EP disclosed
US-9969743-B2 Urea and amide derivatives of aminoalkylpiperazines and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2018-05-15 US disclosed
US-20170190711-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE 2017-07-06 US disclosed
US-9598387-B2 Urea and amide derivatives of aminoalkylpiperazines and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2017-03-21 US disclosed
US-20150232435-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2015-08-20 US disclosed
US-8575185-B2 Compositions, synthesis, and methods of utilizing quinazolinedione derivatives REVIVA PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
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
WO-2006015737-A1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SCHWARZ PHARMA AG (DE) 2006-02-16 WO 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
CN-1223659-A Fused imidazopyridine derivatives as antihyperlipidemic agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-21 CN disclosed
EP-0000220-B1 DIHYDROURACILS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1981-04-29 EP disclosed
US-4216216-A TREATING MIGRAINE HEADACHES, ANTI-HISTAMINES HOECHST AKTIENGESELLSCHAFT (DE) 1980-08-05 US disclosed
EP-0000220-A1 Dihydrouracils, process for their preparation and pharmaceuticals containing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-01-10 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 (5 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 CYP2D6 896/4885KCNH2 1015/4885SIGMAR1 109/4885
US-20030195219-A1 Hybrid 2-aminotetralin and aryl-substituted piperazine compounds and their use in altering cns activity HTR3A, HTR3C, HTR2C CYP2D6 101/4885KCNH2 1208/4885SIGMAR1 341/4885
US-20170190711-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF HTR2C, HTR4, HTR2A CYP2D6 299/4885KCNH2 1099/4885SIGMAR1 47/4885
US-20150232435-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF DRD2, CHRM2, NPY2R CYP2D6 372/4885KCNH2 1201/4885SIGMAR1 65/4885
US-20060020132-A1 Hybrid 2-aminoterailin and aryl-substituted piperazine compounds and their use in altering CNS activity HTR3A, DRD3, DRD2 CYP2D6 201/4885KCNH2 1371/4885SIGMAR1 328/4885

“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.