SCHEMBL1780477

SCHEMBL1780477

CC1CC(C)CN(C(N)CCCC(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.49
HRH1 P35367 6/20 0.43
HTR2A P28223 5/20 0.43
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
CYP2D6 P10635 1/20 0.37

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
SCHEMBL6620374 0.76 CYP1A2 (0.50) SIGMAR1HRH1HTR2AGAAGRM2
SCHEMBL1780476 0.73 SIGMAR1 (0.46) SIGMAR1HRH1HTR2AMEN1ALDH1A1
SCHEMBL10593583 0.69 CYP1A2 (0.57) MEN1ALDH1A1GAAKMT2ACYP2D6
SCHEMBL8661012 0.67 HRH1 (0.61) SIGMAR1HRH1HTR2AGRM2GRM3
SCHEMBL1780475 0.66 SIGMAR1 (0.48) SIGMAR1HRH1HTR2AMEN1ALDH1A1
SCHEMBL6843039 0.65 OPRM1 (0.53) HRH1HTR2AMEN1KMT2ACYP2D6
SCHEMBL9073997 0.65 HRH1 (0.71) SIGMAR1HRH1HTR2A
Iodide SCHEMBL11679452 0.65 HRH1 (0.53) SIGMAR1HRH1HTR2AGRM2GRM3
SCHEMBL3174127 0.65 MAPT (0.41) SIGMAR1MEN1ALDH1A1GAAKMT2A
SCHEMBL6568692 0.65 HRH1 (0.58) SIGMAR1HRH1HTR2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513825-B1 ANTI TUBERCULAR DRUG: COMPOSITIONS AND METHODS Dept of Health and Human Services (US) 2016-10-05 EP disclosed
US-8268894-B2 Compositions and methods for the treatment of infectious diseases THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-09-18 US disclosed
US-8202910-B2 Compositions and methods for treatment of infectious disease SEQUELLA, INC. (US) 2012-06-19 US disclosed
US-20110118307-A1 Compositions and methods for the treatment of infectious diseases GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2011-05-19 US disclosed
US-7842729-B2 Anti tubercular drug: compositions and methods THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-30 US disclosed
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS SEQUELLA, INC. 2009-07-30 US disclosed
US-7456222-B2 Anti tubercular drug: compositions and methods SEQUELLA, INC. (US) 2008-11-25 US disclosed
US-20060148904-A1 Anti tubercular drug: compositions and methods SEQUELLA, INC. 2006-07-06 US disclosed
US-20060020041-A1 Anti tubercular drug: compositions and methods SEQUELLA, INC. 2006-01-26 US disclosed
US-6951961-B2 Methods of use and compositions for the diagnosis and treatment of infectious disease GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2005-10-04 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-20110118307-A1 Compositions and methods for the treatment of infectious diseases TERT, C5, ELANE SIGMAR1 4624/4885HRH1 2247/4885HTR2A 4049/4885
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS RIF1, TERT, ELL SIGMAR1 3044/4885HRH1 1648/4885HTR2A 4182/4885
US-20060148904-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL SIGMAR1 3614/4885HRH1 1920/4885HTR2A 4208/4885
US-20060020041-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL SIGMAR1 3614/4885HRH1 1920/4885HTR2A 4208/4885

“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.