SCHEMBL2013313

SCHEMBL2013313

OC1(c2c[nH]c3ncccc23)CCCN(Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.53
DRD2 P14416 8/20 0.46
DRD3 P35462 8/20 0.46
OPRM1 P35372 1/20 0.46
CYP2D6 P10635 2/20 0.43
MET P08581 1/20 0.43
CYP3A4 P08684 2/20 0.42
HSD11B1 P28845 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL9046812 0.77 KDM4E (0.51) DRD4DRD2DRD3CYP2D6CYP3A4
SCHEMBL2008062 0.77 KMT2A (0.47) DRD4DRD2DRD3CYP2D6CYP3A4
SCHEMBL7943354 0.76 DRD3 (0.58) DRD4DRD2DRD3OPRM1CYP2D6
SCHEMBL11136336 0.75 DRD4 (0.51) DRD4DRD2DRD3CYP2D6L3MBTL1
Hydrochloric Acid SCHEMBL11220155 0.74 DRD4 (0.50) DRD4DRD2DRD3CYP2D6L3MBTL1
SCHEMBL5242779 0.72 OPRL1 (0.67) DRD4DRD2DRD3CYP2D6CYP3A4
SCHEMBL8959854 0.72 CYP2D6 (0.50) OPRM1CYP2D6CYP3A4TSHR
SCHEMBL8858021 0.72 DRD4 (0.77) DRD4DRD2DRD3CYP2D6MET
SCHEMBL25429671 0.71 HSD11B1 (0.42) DRD4DRD2DRD3HSD11B1
SCHEMBL30509700 0.71 HSD11B1 (0.42) DRD4DRD2DRD3HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365542-A1 Selective Agonists of 5-HT2A Receptor and Methods of Use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-16 US disclosed
US-20230365542-A1 Selective Agonists of 5-HT2A Receptor and Methods of Use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-16 US disclosed
US-20230365542-A1 Selective Agonists of 5-HT2A Receptor and Methods of Use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-16 US disclosed
US-8252930-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2012-08-28 US disclosed
US-8252930-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2012-08-28 US disclosed
US-8252930-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2012-08-28 US disclosed
EP-2041131-B1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYLCHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-09-28 EP disclosed
EP-2041131-B1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYLCHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-09-28 EP disclosed
US-7964728-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2011-06-21 US disclosed
US-7964728-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2011-06-21 US disclosed
US-7964728-B2 Azaindole derivatives with a combination of partial nicotinic acetyl-choline receptor agonism and dopamine reuptake inhibition SOLVAY PHARMACEUTICALS B.V. (NL) 2011-06-21 US disclosed
US-20110053962-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. 2011-03-03 US disclosed
US-20110053962-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. 2011-03-03 US disclosed
US-20110053962-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. 2011-03-03 US disclosed
CN-101484454-A Azaindole derivatives with a combination of partial nicotinic acetylcholine receptor agonism and dopamine reuptake inhibition SOLVAY PHARM B V (NL) 2009-07-15 CN disclosed
US-20080009514-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION ABBVIE B.V. (NL) 2008-01-10 US disclosed
US-20080009514-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION ABBVIE B.V. (NL) 2008-01-10 US disclosed
US-20080009514-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION ABBVIE B.V. (NL) 2008-01-10 US disclosed
WO-2008003736-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYLCHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. (NL) 2008-01-10 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 (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-20230365542-A1 Selective Agonists of 5-HT2A Receptor and Methods of Use HTR2A, HTR2C, HTR2B DRD4 269/4885DRD2 134/4885DRD3 374/4885
US-20080009514-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION CHRNA5, CHRNA7, CHRNA2 DRD4 141/4885DRD2 85/4885DRD3 146/4885
US-20110053962-A1 AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION CHRNA5, CHRNA7, CHRNA2 DRD4 115/4885DRD2 69/4885DRD3 123/4885

“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.