SCHEMBL2216221

SCHEMBL2216221

c1ccc2c(c1)CC(NC1=NCCN1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 11/20 0.46
ADRA2B P18089 9/20 0.46
ADRA2C P18825 9/20 0.46
HTR1D P28221 1/20 0.46
ADRA1A P35348 4/20 0.45
ADRA1D P25100 3/20 0.45
ADRA1B P35368 3/20 0.45
HTR1A P08908 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
SLC22A1 O15245 1/20 0.42
SLC22A3 O75751 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HRH2 P25021 1/20 0.42
CYP2C19 P33261 1/20 0.42
OPRK1 P41145 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
SLC47A1 Q96FL8 1/20 0.42

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
Iodide SCHEMBL4667056 0.98 ADRA2A (0.45) ADRA2AADRA2BADRA2CHTR1DADRA1A
SCHEMBL4789088 0.74 ADRA2A (0.39) ADRA2AADRA2BADRA2CHTR1DADRA1A
SCHEMBL2215206 0.73 ADRA1A (0.49) ADRA2AADRA2BADRA2CHTR1DADRA1A
SCHEMBL9619466 0.73 ADRA2A (0.41) ADRA2AADRA2BADRA2CHTR1DADRA1A
SCHEMBL12437174 0.73 ADRA1A (0.49) ADRA2AADRA2BADRA2CHTR1DADRA1A
SCHEMBL14067912 0.72 NISCH (0.43) ADRA2AADRA2BADRA2CHTR1DADRA1A
SCHEMBL12442744 0.71 LMNA (0.60) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL1718475 0.71 LMNA (0.60) ADRA2AADRA2BADRA2CADRA1AHTR1A
Hydrochloric Acid SCHEMBL3501970 0.70 LMNA (0.59) ADRA2AADRA2BADRA2CADRA1AHTR1A
SCHEMBL10758353 0.69 NISCH (0.67) ADRA2AADRA1AHTR1AMEN1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4861789-A Dihydro-indene-amine-dihydrooxazoles BEECHAM GROUP PLC (GB) 1989-08-29 US claimed
EP-0251453-A2 Substituted amino-dihydrooxazoles, -thiazoles and -imidazoles, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1988-01-07 EP claimed
US-20110178143-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2011-07-21 US disclosed
US-20110178143-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2011-07-21 US disclosed
US-20110178143-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2011-07-21 US disclosed
EP-2188261-A1 THERAPEUTIC COMPOUNDS Allergan, Inc. (US) 2010-05-26 EP disclosed
WO-2009023757-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2009-02-19 WO disclosed
WO-2009023757-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2009-02-19 WO disclosed
WO-2008135181-A2 INSECTICIDAL SUBSTITUTED 2-AMINOINDANES BAYER CROPSCIENCE AG (DE) 2008-11-13 WO disclosed
EP-1988080-A1 Insecticidal substituted 2-aminoindanes Bayer CropScience AG (DE) 2008-11-05 EP disclosed
US-4861789-A Dihydro-indene-amine-dihydrooxazoles BEECHAM GROUP PLC (GB) 1989-08-29 US disclosed
EP-0251453-A2 Substituted amino-dihydrooxazoles, -thiazoles and -imidazoles, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1988-01-07 EP 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-20110178143-A1 THERAPEUTIC COMPOUNDS GOT2, GOT1, ANXA5 ADRA2A 1550/4885ADRA2B 1943/4885ADRA2C 1223/4885

“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.