SCHEMBL1779066

SCHEMBL1779066

C=CCN(CCNCCc1ccccc1Cl)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CHRM2 P08172 1/20 0.35
CXCR4 P61073 1/20 0.34
AOC3 Q16853 1/20 0.34
KCNH2 Q12809 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
PDE7A Q13946 1/20 0.33

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
SCHEMBL12342272 0.86 SLC6A2 (0.34) TAAR1CHRM2SLC6A2SLC6A4SLC6A3
SCHEMBL1778321 0.83 ALDH1A1 (0.44) MEN1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL1779031 0.77 KCNH2 (0.42) CYP3A4CYP2D6CYP2C19CHRM2KCNH2
SCHEMBL1779062 0.76 KCNH2 (0.41) MEN1KMT2AKCNH2
SCHEMBL13574203 0.73 TAAR1 (0.55) TAAR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10834316 0.71 TAAR1 (0.69) TAAR1MEN1KMT2ATP53CYP3A4
SCHEMBL18107005 0.68 AOC3 (0.42) MEN1KMT2AAOC3
SCHEMBL1966295 0.66 MEN1 (0.70) TAAR1MEN1KMT2ATP53CYP3A4
SCHEMBL6289736 0.65 CCR5 (0.39) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL10911917 0.65 TAAR1 (0.60) TAAR1MEN1KMT2ATP53CYP3A4

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 24 patents — showing the first 20. 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
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-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-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-8202910-B2 Compositions and methods for treatment of infectious disease SEQUELLA, INC. (US) 2012-06-19 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-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-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS SEQUELLA, INC. 2009-07-30 US disclosed
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS SEQUELLA, INC. 2009-07-30 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-7456222-B2 Anti tubercular drug: compositions and methods SEQUELLA, INC. (US) 2008-11-25 US disclosed
US-7456222-B2 Anti tubercular drug: compositions and methods SEQUELLA, INC. (US) 2008-11-25 US disclosed
WO-2007005896-A2 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS SEQUELLA, INC. (US) 2007-01-11 WO 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 TAAR1 1357/4885MEN1 704/4885KMT2A 2413/4885
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS RIF1, TERT, ELL TAAR1 2139/4885MEN1 2464/4885KMT2A 2570/4885
US-20060148904-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL TAAR1 937/4885MEN1 1643/4885KMT2A 3203/4885
US-20060020041-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL TAAR1 937/4885MEN1 1643/4885KMT2A 3203/4885

“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.