SCHEMBL3174309

SCHEMBL3174309

O=C(NCN1CCCCC1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.62
DRD2 P14416 4/20 0.62
DRD3 P35462 3/20 0.62
HTT P42858 1/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57
ALDH1A1 P00352 3/20 0.54
GAA P10253 2/20 0.54
GFER P55789 1/20 0.53
CACNA1B Q00975 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 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
SCHEMBL2774517 0.98 DRD4 (0.64) DRD4DRD2DRD3HTTKMT2A
SCHEMBL6207632 0.85 CYP2D6 (0.54) DRD4DRD2DRD3KMT2AMEN1
SCHEMBL4502913 0.83 CYP1A2 (0.73) KMT2AMEN1POLBALDH1A1CYP1A2
SCHEMBL16617729 0.83 DRD4 (0.63) DRD4DRD2DRD3KMT2AMEN1
SCHEMBL6842741 0.83 DRD4 (0.59) DRD4DRD2DRD3KMT2AMEN1
SCHEMBL885731 0.83 DRD4 (0.59) DRD4DRD2DRD3KMT2AMEN1
SCHEMBL2228237 0.83 ALDH1A1 (0.66) DRD4DRD2DRD3KMT2AMEN1
Hydrochloric Acid SCHEMBL27770345 0.82 ALDH1A1 (0.71) KMT2AMEN1POLBALDH1A1GFER
SCHEMBL17269536 0.81 NPSR1 (0.70) DRD4DRD2DRD3KMT2AMEN1
SCHEMBL1381550 0.81 ALDH1A1 (0.70) KMT2AMEN1POLBALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11203582-B2 Benzamide derivatives for inhibiting endoplasmic reticulum (ER) stress THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2021-12-21 US disclosed
US-20200199094-A1 BENZAMIDE DERIVATIVES FOR INHIBITING ENDOPLASMIC RETICULUM (ER) STRESS THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2020-06-25 US disclosed
WO-2018232264-A1 BENZAMIDE DERIVATIVES FOR INHIBITING ENDOPLASMIC RETICULUM (ER) STRESS THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2018-12-20 WO disclosed
EP-2784065-B1 GLYCINE REUPTAKE INHIBITOR AND USE THEREOF BEIJING MEDISAN TECHNOLOGY CO LTD (CN) 2016-10-05 EP disclosed
US-8410075-B2 Mannich base N-oxide drugs CASCADE PRODRUG INC. (US) 2013-04-02 US disclosed
US-8410075-B2 Mannich base N-oxide drugs CASCADE PRODRUG INC. (US) 2013-04-02 US disclosed
US-8410075-B2 Mannich base N-oxide drugs CASCADE PRODRUG INC. (US) 2013-04-02 US disclosed
US-20100016252-A1 Mannich Base N-Oxide Drugs State of Oregon Acting By and Through The Oregon State Board of Higher Education On Behalf of The U (US) 2010-01-21 US disclosed
US-20100016252-A1 Mannich Base N-Oxide Drugs State of Oregon Acting By and Through The Oregon State Board of Higher Education On Behalf of The U (US) 2010-01-21 US disclosed
US-20100016252-A1 Mannich Base N-Oxide Drugs State of Oregon Acting By and Through The Oregon State Board of Higher Education On Behalf of The U (US) 2010-01-21 US disclosed
US-4824953-A Multi-step process for producing 5-hydroxy-N-(6-oxo-piperidyl-methyl)-2-(2,2,2-trifluoro-ethoxy)-benzamide and derivatives RIKER LABORATORIES, INC. (US) 1989-04-25 US disclosed
US-4822885-A Cyclopentanone derivatives MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-04-18 US disclosed
US-4656285-A Compound 2-acetamidomethyl-6-methoxy-pyridine RIKER LABORATORIES, INC. (US) 1987-04-07 US disclosed
US-4599434-A Cyclopentanone derivatives RIKER LABORATORIES, INC. (US) 1986-07-08 US disclosed
US-4555573-A Certain 6-benzamidomethyl-2(1H)-pyridone derivatives RIKER LABORATORIES, INC. (US) 1985-11-26 US disclosed
US-4497954-A Cyclopentanone derivatives RIKER LABORATORIES, INC. (US) 1985-02-05 US disclosed
US-4496734-A Metabolite RIKER LABORATORIES, INC. (US) 1985-01-29 US disclosed
US-4452983-A N-(2-PIPERIDYLMETHYL)-2,2,2-TRIFLUOROETHOXY)-BENZAMIDE RIKER LABORATORIES, INC. (US) 1984-06-05 US disclosed
US-4390716-A INTERMEDIATES FOR ANTIARRHYTHMIC BENZAMIDE COMPOUNDS RIKER LABORATORIES, INC. (US) 1983-06-28 US disclosed
US-4339587-A ANTIARRHYTHMIA AGENTS RIKER LABORATORIES, INC. (US) 1982-07-13 US 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 (3 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-20200199094-A1 BENZAMIDE DERIVATIVES FOR INHIBITING ENDOPLASMIC RETICULUM (ER) STRESS HSPA5, TMBIM6, BAD DRD4 3257/4885DRD2 3180/4885DRD3 3103/4885
US-11203582-B2 Benzamide derivatives for inhibiting endoplasmic reticulum (ER) stress HSPA5, TMBIM6, BAD DRD4 3257/4885DRD2 3180/4885DRD3 3103/4885
US-20100016252-A1 Mannich Base N-Oxide Drugs ASAH2, MAN2B1, NNT DRD4 2330/4885DRD2 1752/4885DRD3 1205/4885

“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.