SCHEMBL3170332

SCHEMBL3170332

Cc1cc(C)c(C)c(OCC2=NCCN2)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 10/20 0.61
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55
ADRA1A P35348 8/20 0.53
ADRA1D P25100 3/20 0.53
ADRA1B P35368 3/20 0.53
HTR1A P08908 3/20 0.50
ADRA2A P08913 3/20 0.50
ADRA2B P18089 3/20 0.50
ADRA2C P18825 3/20 0.50
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48

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
SCHEMBL546268 0.79 NISCH (0.78) NISCHADRA1AADRA1DADRA1BHTR1A
Hydrochloric Acid SCHEMBL8582718 0.79 NISCH (0.51) NISCHHTR1DHTR1BADRA1AADRA1D
Hydrochloric Acid SCHEMBL9654109 0.78 NISCH (0.76) NISCHADRA1AADRA1DADRA1BHTR1A
SCHEMBL11265817 0.77 NISCH (0.58) NISCHADRA1AADRA1DADRA1BHTR1A
SCHEMBL11256297 0.75 ADRA1A (0.58) NISCHADRA1AADRA1DADRA1BHTR1A
Tymazoline SCHEMBL29387735 0.75 NISCH (0.70) NISCHADRA1AADRA1DADRA1BHTR1A
Tymazoline SCHEMBL250491 0.75 NISCH (0.70) NISCHADRA1AADRA1DADRA1BHTR1A
Tymazoline SCHEMBL4415590 0.74 NISCH (0.68) NISCHADRA1AADRA1DADRA1BHTR1A
Cilutazoline SCHEMBL2108875 0.74 NISCH (0.68) NISCHADRA1AADRA1DADRA1BHTR1A
SCHEMBL3169446 0.73 HTR1D (0.61) NISCHHTR1DHTR1BADRA1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173720-A2 2-IMIDAZOLINES HAVING A GOOD AFFINITY TO THE TRACE AMINE ASSOCIATED RECEPTORS (TAARS) F. Hoffmann-Roche AG (CH) 2010-04-14 EP disclosed
US-7652055-B2 2-imidazolines HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-7652055-B2 2-imidazolines HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-7652055-B2 2-imidazolines HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-20090018180-A1 2-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-15 US disclosed
US-20090018180-A1 2-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-15 US disclosed
US-20090018180-A1 2-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-15 US disclosed
WO-2009003868-A2 2 -IMIDAZOLINES HAVING A GOOD AFFINITY TO THE TRACE AMINE ASSOCIATED RECEPTORS (TAARS) F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 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 (1 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-20090018180-A1 2-IMIDAZOLINES TAAR1, TAAR5, NPY1R NISCH 2014/4885HTR1D 27/4885HTR1B 52/4885

“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.