SCHEMBL12359486

SCHEMBL12359486

N=C(N)c1ccc2c(c1)N(Cc1c[nH]cn1)CC2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.35
ITGA2B P08514 11/20 0.35
ASIC3 Q9UHC3 1/20 0.34
ACHE P22303 1/20 0.34
PLAU P00749 4/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
KLK1 P06870 1/20 0.31

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
SCHEMBL12359480 0.88 HDAC1 (0.39) ACHE
SCHEMBL14119632 0.87 ACHE (0.31) ACHE
SCHEMBL12359620 0.86 NOS3 (0.33) ACHETAAR1
SCHEMBL12359488 0.86 NOS3 (0.33) ACHETAAR1
SCHEMBL12359621 0.85 NOS3 (0.33) ACHETAAR1
SCHEMBL12359557 0.85 ACHE (0.41) ACHE
SCHEMBL16317649 0.83 HDAC1 (0.34) ACHE
SCHEMBL12359622 0.83 HDAC1 (0.34) ACHE
SCHEMBL12359494 0.83 HDAC1 (0.34) ACHE
SCHEMBL12359567 0.82 MTNR1A (0.37) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003624-B2 Functionally selective ALPHA2C adrenoreceptor agonists SCHERING CORPORATION (US) 2011-08-23 US disclosed
US-8003624-B2 Functionally selective ALPHA2C adrenoreceptor agonists SCHERING CORPORATION (US) 2011-08-23 US disclosed
US-7803828-B2 Functionally selective alpha2C adrenoreceptor agonists SCHERING-PLOUGH CORPORATION (US) 2010-09-28 US disclosed
US-7803828-B2 Functionally selective alpha2C adrenoreceptor agonists SCHERING-PLOUGH CORPORATION (US) 2010-09-28 US disclosed
WO-2008100457-A2 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2008-08-21 WO disclosed
US-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA, INC. 2008-01-31 US disclosed
US-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA, INC. 2008-01-31 US disclosed
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION 2007-05-03 US disclosed
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION 2007-05-03 US disclosed
WO-2007024944-A1 IMIDAZOLE DERIVATIVES AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2007-03-01 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-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A ITGB3 800/4885ITGA2B 801/4885ASIC3 1135/4885
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A ITGB3 800/4885ITGA2B 801/4885ASIC3 1135/4885

“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.