SCHEMBL10104076

SCHEMBL10104076

CC(C)N1CCC(CN2CCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.56
ADRA2C P18825 1/20 0.56
ACHE P22303 1/20 0.44
HRH3 Q9Y5N1 9/20 0.43
MAPT P10636 3/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 2/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL15242459 0.98 CHRM5 (0.59) CHRM5ADRA2CACHEHRH3MAPT
SCHEMBL13860741 0.96 CHRM5 (0.50) CHRM5ADRA2CACHEHRH3MAPT
SCHEMBL22520769 0.91 CHRM5 (0.43) CHRM5ADRA2CACHEHRH3
SCHEMBL14453909 0.89 CHRM5 (0.41) CHRM5ADRA2CACHEHRH3
SCHEMBL23205756 0.88 CHRM5 (0.47) CHRM5ADRA2CACHEHRH3MAPT
SCHEMBL15242464 0.88 CHRM5 (0.47) CHRM5ADRA2CACHEHRH3MAPT
SCHEMBL24233173 0.88 ACHE (0.44) CHRM5ADRA2CACHEHRH3
SCHEMBL24890774 0.86 CHRM5 (0.50) CHRM5ADRA2CACHEHRH3MAPT
SCHEMBL19083160 0.86 CHRM5 (0.50) CHRM5ADRA2CACHEHRH3MAPT
SCHEMBL23484949 0.84 ACHE (0.60) CHRM5ADRA2CACHEHRH3THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676763-B2 Method of treating Ebola PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-13 US disclosed
EP-2350083-B1 PYRIMIDO[5,4-D]PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-17 EP disclosed
US-20160024066-A1 Small Molecule Inhibitors of Ebola and Lassa Fever Viruses and Methods of Use THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2016-01-28 US disclosed
US-9193705-B2 Small molecule inhibitors of ebola and lassa fever viruses and methods of use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-11-24 US disclosed
US-8653087-B2 Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-8653087-B2 Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20130231332-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-09-05 US disclosed
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
US-7531532-B2 Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-12 US disclosed
US-7531532-B2 Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-12 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 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 (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-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) HGF, MET, FLT1 CHRM5 2795/4885ADRA2C 2788/4885ACHE 4805/4885
US-20160024066-A1 Small Molecule Inhibitors of Ebola and Lassa Fever Viruses and Methods of Use LASP1, LAS1L, HSP90B1 CHRM5 4882/4885ADRA2C 4524/4885ACHE 4584/4885
US-20130231332-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE LASP1, LAS1L, HSP90B1 CHRM5 4882/4885ADRA2C 4524/4885ACHE 4584/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 CHRM5 3213/4885ADRA2C 2610/4885ACHE 3040/4885

“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.