SCHEMBL3780910

SCHEMBL3780910

COc1cccc(CCN)c1Cl

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.67
HTR2A P28223 2/20 0.51
ADRA1A P35348 1/20 0.47

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
SCHEMBL18901017 0.86 PNMT (0.54) TAAR1HTR2A
SCHEMBL20809956 0.83 ALOX5 (0.49) TAAR1
SCHEMBL26654522 0.81 ALOX5 (0.44) TAAR1
SCHEMBL29350784 0.80 TAAR1 (1.00) TAAR1ADRA1A
SCHEMBL305943 0.80 TAAR1 (1.00) TAAR1ADRA1A
SCHEMBL3062955 0.79 TAAR1 (0.69) TAAR1HTR2AADRA1A
SCHEMBL151944 0.79 TAAR1 (0.69) TAAR1HTR2AADRA1A
SCHEMBL30839502 0.79 TAAR1 (0.69) TAAR1HTR2AADRA1A
SCHEMBL8342049 0.79 TAAR1 (0.53) TAAR1HTR2A
SCHEMBL8349999 0.79 TAAR1 (0.79) TAAR1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2892891-B1 ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INT (DE) 2019-07-31 EP disclosed
US-8906904-B2 Alkoxy pyrazoles as soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-09 US disclosed
US-8906904-B2 Alkoxy pyrazoles as soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-09 US disclosed
WO-2014039434-A1 ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 WO disclosed
US-20140073629-A1 ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 US disclosed
US-20140073629-A1 ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 US disclosed
US-20100331312-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
EP-2265587-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009105206-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-08-27 WO disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 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 (3 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-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors PDE5A, PDE3B, PDE4A TAAR1 1517/4885HTR2A 2394/4885ADRA1A 176/4885
US-20100331312-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HRH3, HRH4, HRH1 TAAR1 209/4885HTR2A 18/4885ADRA1A 252/4885
US-20140073629-A1 ALKOXY PYRAZOLES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 TAAR1 1012/4885HTR2A 1363/4885ADRA1A 148/4885

“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.