SCHEMBL10854033

SCHEMBL10854033

CC(=O)NC1CCN(CCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.77
ADRA2B P18089 1/20 0.77
ADRA2C P18825 1/20 0.77
ADRA1D P25100 1/20 0.77
ADRA1A P35348 1/20 0.77
ADRA1B P35368 1/20 0.77
BCHE P06276 2/20 0.61
ACHE P22303 2/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HTR2A P28223 1/20 0.60
SIGMAR1 Q99720 1/20 0.59
HPGD P15428 1/20 0.59
HTT P42858 1/20 0.59
RECQL P46063 1/20 0.59
KRAS P01116 1/20 0.56
SOS1 Q07889 1/20 0.56
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54

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
SCHEMBL11548936 0.89 ADRA2A (0.74) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL14521583 0.89 ADRA2A (0.74) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11462973 0.89 ADRA2A (0.77) ADRA2AADRA2BADRA2CADRA1DADRA1A
Indoramin SCHEMBL49517 0.87 ADRA1D (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
Indoramin SCHEMBL29370437 0.87 ADRA1D (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11071068 0.87 ADRA2A (0.74) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10783732 0.87 ADRA2A (0.80) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11068159 0.87 ADRA2A (0.77) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL11547157 0.87 ADRA2A (0.74) ADRA2AADRA2BADRA2CADRA1DADRA1A
Indoramin SCHEMBL123678 0.86 ADRA1D (0.98) ADRA2AADRA2BADRA2CADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-4569933-A Antihypertensive substituted derivatives of 2,5-diamino 1,4-diazole CORNU PIERRE JEAN 1986-02-11 US disclosed
US-4166117-A HYPOTENSIVES SCIENCE UNION ET CIE (FR) 1979-08-28 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 (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-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 ADRA2A 846/4885ADRA2B 1276/4885ADRA2C 952/4885

“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.