SCHEMBL1262907

SCHEMBL1262907

CCC([O])N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
OPRD1 P41143 8/20 0.36
SIGMAR1 Q99720 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
OPRM1 P35372 3/20 0.33
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL7713683 0.86
SCHEMBL7145610 0.82 SIGMAR1 (0.39) SLC6A2SLC6A4OPRD1SIGMAR1MEN1
SCHEMBL5789735 0.79 SIGMAR1 (0.47) SLC6A2SLC6A4OPRD1SIGMAR1
SCHEMBL841129 0.77
SCHEMBL20458479 0.76 SLC6A4 (0.34) SLC6A2SLC6A4OPRD1SIGMAR1MEN1
SCHEMBL6556075 0.75 SLC6A4 (0.36) SLC6A2SLC6A4OPRD1SIGMAR1MEN1
SCHEMBL1262872 0.75 FDPS (0.36) SLC6A2SLC6A4MEN1KMT2A
SCHEMBL510134 0.75 SLC6A2 (0.39) SLC6A2SLC6A4OPRD1SIGMAR1MEN1
SCHEMBL2748230 0.73 HTR1A (0.34) OPRD1SIGMAR1CHRM5CHRM3OPRM1
SCHEMBL5066970 0.73 SLC6A4 (0.35) SLC6A2SLC6A4OPRD1SIGMAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106928150-B Acrylamide aniline derivative and pharmaceutical application thereof 恩瑞生物医药科技(上海)有限公司 2020-07-31 CN disclosed
US-8846677-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2014-09-30 US disclosed
US-8772285-B2 Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS, LLC (US) 2014-07-08 US disclosed
US-8501739-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-06 US disclosed
US-20130079340-A1 Benzothiazoles Having Histamine H3 Receptor Activity VTVX HOLDINGS II LLC 2013-03-28 US disclosed
US-8394842-B2 Benzothiazoles having histamine H3 receptor activity HIGH POINT PHARMACEUTICALS, LLC (US) 2013-03-12 US disclosed
US-8344001-B2 Heterocyclic H3 antagonists HIGH POINT PHARMACEUTICALS, LLC (US) 2013-01-01 US disclosed
US-20120232078-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2012-09-13 US disclosed
US-8211925-B2 Benzamide glucokinase activators TRANSTECH PHARMA, INC. (US) 2012-07-03 US disclosed
EP-2386554-A1 Compounds active at the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2011-11-16 EP disclosed
US-7084169-B2 Aminoalkoxyindoles and methods of use ROCHE PALO ALTO LLC (US) 2006-08-01 US disclosed
EP-1569638-A1 AMINOALKOXYINDOLES AS 5-HT6-RECEPTOR LIGANDS FOR THE TREATMENT OF CNS-DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 EP disclosed
US-20040132799-A1 Aminoalkoxyindoles and methods of use ROCHE PALO ALTO LLC (US) 2004-07-08 US disclosed
WO-2004050085-A1 AMINOALKOXYINDOLES AS 5-HT6-RECEPTOR LIGANDS FOR THE TREATMENT OF CNS-DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO disclosed
US-6617456-B1 Aminoalkoxy- or hydroxyalkoxy- camptothecin compound that can be bound to a polysaccharide having carboxyl groups via an amino acid or a peptide group; antitumor agents TANABE SEIYAKU CO., LTD. (JP) 2003-09-09 US disclosed
US-6512118-B1 Pharmaceutically acceptable salt thereof show excellent antitumor activities against various tumors, especially they show excellent therapeutic effects on solid tumors such as pulmonary cancer, uterine cancer, ovarian cancer, breast TANABE SEIYAKU CO., LTD. (JP) 2003-01-28 US disclosed
WO-2002087587-A2 4-AMINOSULFONYLQUINAZOLINES AND -QUINOLINES AS TYROSINE KINASE INHIBITORS CELLTECH R & D LIMITED (GB) 2002-11-07 WO disclosed
EP-0781781-B1 Camptothecin derivatives TANABE SEIYAKU CO (JP) 2001-10-10 EP disclosed
US-5892043-A MIXTURE WITH POLYSACCHARIDE AND PEPTIDE; ANTITUMOR AGENT TANABE SEIYAKU CO., LTD. (JP) 1999-04-06 US disclosed
EP-0781781-A2 Camptothecin derivatives TANABE SEIYAKU CO., LTD. (JP) 1997-07-02 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 (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-20120232078-A1 Novel Medicaments HRH3, HRH4, HRH1 SLC6A2 844/4885SLC6A4 948/4885OPRD1 283/4885
US-20040132799-A1 Aminoalkoxyindoles and methods of use HTR3C, HTR2C, CYP3A5 SLC6A2 161/4885SLC6A4 64/4885OPRD1 80/4885
US-20130079340-A1 Benzothiazoles Having Histamine H3 Receptor Activity HRH3, HRH2, HRH4 SLC6A2 1574/4885SLC6A4 1095/4885OPRD1 352/4885

“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.