SCHEMBL14969050

SCHEMBL14969050

Cc1cccc2c1CCCC2c1ncc[nH]1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 19/20 0.65
ADRA2A P08913 4/20 0.64
ADRA1D P25100 4/20 0.64
ADRA1B P35368 3/20 0.64

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
SCHEMBL14969165 0.93 ADRA1A (0.70) ADRA1AADRA2AADRA1DADRA1B
SCHEMBL14968990 0.86 ADRA1A (0.63) ADRA1AADRA2AADRA1DADRA1B
SCHEMBL769219 0.81 ADRA1A (0.53) ADRA1AADRA2AADRA1DADRA1B
SCHEMBL10864260 0.81 ADRA1A (0.57) ADRA1AADRA2AADRA1DADRA1B
Bromide SCHEMBL10751256 0.80 ADRA1A (0.56) ADRA1AADRA2AADRA1DADRA1B
SCHEMBL769101 0.78 ADRA1A (1.00) ADRA1AADRA2AADRA1DADRA1B
SCHEMBL9814143 0.78 ADRA1A (0.70) ADRA1AADRA2AADRA1DADRA1B
SCHEMBL6752937 0.77 ADRA1A (0.56) ADRA1AADRA2AADRA1DADRA1B
Hydrochloric Acid SCHEMBL10756176 0.77 ADRA1A (0.69) ADRA1AADRA2AADRA1DADRA1B
SCHEMBL14972367 0.73 ADRA1A (0.61) ADRA1AADRA2AADRA1DADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780008-B1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND A SUBSTITUTED IMIDAZOLE, METHODS AND USES THEREOF MERIAL INC (US) 2017-07-05 EP disclosed
EP-2780008-B1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND A SUBSTITUTED IMIDAZOLE, METHODS AND USES THEREOF MERIAL INC (US) 2017-07-05 EP disclosed
US-9173404-B2 Compositions comprising an aryl pyrazole and a substituted imidazole, methods and uses thereof MERIAL, INC. (US) 2015-11-03 US disclosed
US-9173404-B2 Compositions comprising an aryl pyrazole and a substituted imidazole, methods and uses thereof MERIAL, INC. (US) 2015-11-03 US disclosed
US-9173404-B2 Compositions comprising an aryl pyrazole and a substituted imidazole, methods and uses thereof MERIAL, INC. (US) 2015-11-03 US disclosed
US-9125407-B2 Compositions comprising an aryl pyrazole and a substituted imidazole, methods and uses thereof MERIAL, INC. (US) 2015-09-08 US disclosed
US-9125407-B2 Compositions comprising an aryl pyrazole and a substituted imidazole, methods and uses thereof MERIAL, INC. (US) 2015-09-08 US disclosed
US-9125407-B2 Compositions comprising an aryl pyrazole and a substituted imidazole, methods and uses thereof MERIAL, INC. (US) 2015-09-08 US disclosed
US-20150011601-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND A SUBSTITUTED IMIDAZOLE, METHODS AND USES THEREOF MERIAL LIMITED (US) 2015-01-08 US disclosed
US-20150011601-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND A SUBSTITUTED IMIDAZOLE, METHODS AND USES THEREOF MERIAL LIMITED (US) 2015-01-08 US disclosed
US-20150011601-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND A SUBSTITUTED IMIDAZOLE, METHODS AND USES THEREOF MERIAL LIMITED (US) 2015-01-08 US disclosed
US-20140303220-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND A SUBSTITUTED IMIDAZOLE, METHODS AND USES THEREOF MERIAL LIMITED (US) 2014-10-09 US disclosed
US-20140303220-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND A SUBSTITUTED IMIDAZOLE, METHODS AND USES THEREOF MERIAL LIMITED (US) 2014-10-09 US disclosed
US-20140303220-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND A SUBSTITUTED IMIDAZOLE, METHODS AND USES THEREOF MERIAL LIMITED (US) 2014-10-09 US disclosed
EP-2780008-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND A SUBSTITUTED IMIDAZOLE, METHODS AND USES THEREOF Merial Limited (US) 2014-09-24 EP disclosed
WO-2013074892-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND A SUBSTITUTED IMIDAZOLE, METHODS AND USES THEREOF MERIAL LIMITED (US) 2013-05-23 WO disclosed
WO-2013074892-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND A SUBSTITUTED IMIDAZOLE, METHODS AND USES THEREOF MERIAL LIMITED (US) 2013-05-23 WO 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 (2 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-20140303220-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND A SUBSTITUTED IMIDAZOLE, METHODS AND USES THEREOF TYR, AADAC, PIR ADRA1A 2359/4885ADRA2A 2702/4885ADRA1D 3529/4885
US-20150011601-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND A SUBSTITUTED IMIDAZOLE, METHODS AND USES THEREOF TYR, AADAC, PIR ADRA1A 2359/4885ADRA2A 2702/4885ADRA1D 3529/4885

“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.