SCHEMBL1779309

SCHEMBL1779309

OCC1NCCc2cc(O)c(O)cc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.73
ADRB1 P08588 4/20 0.73
ADRB3 P13945 3/20 0.73
TBXA2R P21731 4/20 0.63
DRD2 P14416 4/20 0.63
DRD4 P21917 3/20 0.63
MEN1 O00255 1/20 0.63
ABL1 P00519 1/20 0.63
ALPL P05186 1/20 0.63
GAA P10253 1/20 0.63
KMT2A Q03164 1/20 0.63
RIN1 Q13671 1/20 0.63
KDM1A O60341 1/20 0.63
MAOA P21397 1/20 0.59
KDM4E B2RXH2 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
DRD3 P35462 1/20 0.59
HIF1A Q16665 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL20877563 0.84 ADRB2 (0.71) ADRB2ADRB1ADRB3TBXA2RDRD2
Hydrochloric Acid SCHEMBL11071599 0.83 ADRB2 (0.97) ADRB2ADRB1ADRB3TBXA2RDRD2
SCHEMBL28383642 0.80 ADRB2 (0.68) ADRB2ADRB1ADRB3TBXA2RDRD2
Hydrochloric Acid SCHEMBL11069292 0.80 ADRB2 (0.74) ADRB2ADRB1ADRB3TBXA2RDRD2
SCHEMBL29253194 0.79 ADRB2 (0.63) ADRB2ADRB1ADRB3TBXA2RDRD2
SCHEMBL221137 0.78 DRD2 (1.00) ADRB2ADRB1TBXA2RDRD2DRD4
SCHEMBL5899131 0.78 ADRB2 (1.00) ADRB2ADRB1ADRB3TBXA2RDRD2
Higenamine SCHEMBL636788 0.78 DRD2 (1.00) ADRB2ADRB1TBXA2RDRD2DRD4
(-)-Higenamine SCHEMBL5898911 0.78 DRD2 (1.00) ADRB2ADRB1TBXA2RDRD2DRD4
(+)-Higenamine SCHEMBL5898913 0.78 DRD2 (1.00) ADRB2ADRB1TBXA2RDRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101636376-A Antituberculous drugs: compositions and methods SEQUELLA INC 2010-01-27 CN 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
US-20040033986-A1 Anti tubercular drug: compositions and methods PROTOPOPOVA MARINA NIKOLAEVNA (US) 2004-02-19 US disclosed
US-20040019117-A1 Anti tubercular drug: compostions and methods PROTOPOPOVA MARINA NIKOLAEVNA (US) 2004-01-29 US disclosed
US-20030236225-A1 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 2003-12-25 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 (7 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 ADRB2 3830/4885ADRB1 3494/4885ADRB3 2948/4885
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS RIF1, TERT, ELL ADRB2 3184/4885ADRB1 2775/4885ADRB3 2702/4885
US-20030236225-A1 Methods of use and compositions for the diagnosis and treatment of infectious disease TERT, C5, DERA ADRB2 3919/4885ADRB1 3543/4885ADRB3 2830/4885
US-20060148904-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL ADRB2 3108/4885ADRB1 2544/4885ADRB3 2215/4885
US-20060020041-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL ADRB2 3108/4885ADRB1 2544/4885ADRB3 2215/4885
US-20040033986-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL ADRB2 3108/4885ADRB1 2544/4885ADRB3 2215/4885
US-20040019117-A1 Anti tubercular drug: compostions and methods TYMS, TERT, TYMP ADRB2 4113/4885ADRB1 3712/4885ADRB3 3421/4885

“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.