SCHEMBL3234147

SCHEMBL3234147

C=CCNCCCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.67
KCNH2 Q12809 1/20 0.59
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 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
SCHEMBL252240 0.88 KCNH2 (0.56) SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL2236705 0.86 GAA (0.59) SIGMAR1KCNH2
SCHEMBL8655738 0.86 KCNH2 (0.55) SIGMAR1KCNH2
SCHEMBL11956408 0.82 SIGMAR1 (0.69) SIGMAR1KCNH2DRD2DRD4DRD3
SCHEMBL10634006 0.82 L3MBTL1 (0.68)
SCHEMBL8973390 0.82 FDFT1 (0.50) SIGMAR1DRD2DRD4DRD3
SCHEMBL2571087 0.81 DRD2 (0.50) SIGMAR1KCNH2DRD2DRD4DRD3
SCHEMBL16641037 0.81 BCHE (0.44) SIGMAR1KCNH2
SCHEMBL4254894 0.81 SIGMAR1 (1.00) SIGMAR1KCNH2DRD2DRD4DRD3
SCHEMBL5790337 0.80 TAAR1 (0.46) SIGMAR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3569593-A1 PRODUCTION OF AMINES VIA A HYDROAMINOMETHYLATION REACTION Universität Wien (AT) 2019-11-20 EP disclosed
EP-3569593-A1 PRODUCTION OF AMINES VIA A HYDROAMINOMETHYLATION REACTION Universität Wien (AT) 2019-11-20 EP disclosed
WO-2017137955-A1 NOVEL (R) AND RAC 3-(2-(ALLYLOXY)-5-METHYLPHENYL)-N,N-DIISOPROPYL-3- PHENYLPROPAN-1-AMINE AND ITS USE FOR SYNTHESIS OF (R) AND RAC-2-(3- (DIISOPROPYLAMINO)-1-PHENYLPROPYL)-4-(HYDROXYMETHYL)PHENOL CELESTIS PHARMACEUTICALS PVT. LTD. (IN) 2017-08-17 WO disclosed
US-8946302-B2 Selective sigma-1 receptor ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-02-03 US disclosed
US-20130102571-A1 SELECTIVE SIGMA-1 RECEPTOR LIGANDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 US disclosed
US-8349898-B2 Sigma-1 receptor ligands and methods of use WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-08 US disclosed
US-7846963-B2 2-oxo-heterocyclic compounds and the pharmaceutical compositions comprising the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-12-07 US disclosed
US-7846963-B2 2-oxo-heterocyclic compounds and the pharmaceutical compositions comprising the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-12-07 US disclosed
US-20100286207-A1 Novel 2-Oxo-Heterocyclic Compounds And The Pharmaceutical Compositions Comprising The Same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-11-11 US disclosed
US-20100286207-A1 Novel 2-Oxo-Heterocyclic Compounds And The Pharmaceutical Compositions Comprising The Same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-11-11 US disclosed
US-20100179111-A1 SIGMA-1 RECEPTOR LIGANDS AND METHODS OF USE WARF - WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-07-15 US disclosed
US-7723376-B2 2-oxo-heterocyclic compounds and pharmaceutical compositions KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-05-25 US disclosed
US-7723376-B2 2-oxo-heterocyclic compounds and pharmaceutical compositions KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-05-25 US disclosed
US-20070167486-A1 Novel 2-oxo-heterocyclic compounds and the pharmaceutical compositions comprising the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2007-07-19 US disclosed
US-20070167486-A1 Novel 2-oxo-heterocyclic compounds and the pharmaceutical compositions comprising the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2007-07-19 US disclosed
EP-1732531-A2 AMINES AND AMIDES FOR THE TREATMENT OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2006-12-20 EP disclosed
WO-2005082343-A2 AMINES AND AMIDES FOR THE TREATMENT OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2005-09-09 WO disclosed
EP-0048037-A1 Optically active 1-alkyl-3-(4-substituted-phenyl)-propylamines ELI LILLY AND COMPANY (US) 1982-03-24 EP disclosed
EP-0007204-A1 Phenethanolamines, their formulations, use and preparation ELI LILLY AND COMPANY (US) 1980-01-23 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 (4 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-20100286207-A1 Novel 2-Oxo-Heterocyclic Compounds And The Pharmaceutical Compositions Comprising The Same NOD2, BMP2, NOD1 SIGMAR1 2858/4885KCNH2 1386/4885DRD2 3320/4885
US-20100179111-A1 SIGMA-1 RECEPTOR LIGANDS AND METHODS OF USE SIGMAR1, OPRL1, OPRK1 SIGMAR1 1/4885KCNH2 2763/4885DRD2 93/4885
US-20070167486-A1 Novel 2-oxo-heterocyclic compounds and the pharmaceutical compositions comprising the same NOD2, NOD1, BMP2 SIGMAR1 2470/4885KCNH2 1088/4885DRD2 3417/4885
US-20130102571-A1 SELECTIVE SIGMA-1 RECEPTOR LIGANDS SIGMAR1, OPRL1, OPRK1 SIGMAR1 1/4885KCNH2 2802/4885DRD2 57/4885

“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.