SCHEMBL3033909

SCHEMBL3033909

COc1ccc2c(c1)CC(NCCN1CCN(c3ccccc3)CC1)CC2

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.60
DRD3 P35462 2/20 0.60
DRD4 P21917 3/20 0.56
GRIN1 Q05586 1/20 0.53
GRIN2B Q13224 1/20 0.53
NPY1R P25929 1/20 0.52
NPY5R Q15761 1/20 0.52
HTR1A P08908 1/20 0.52
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL3033030 0.93 DRD2 (0.57) DRD2DRD3DRD4GRIN1GRIN2B
SCHEMBL11459472 0.79 SIGMAR1 (0.60) DRD2DRD3DRD4
SCHEMBL6404849 0.78 POLB (0.76) DRD2DRD3GRIN1GRIN2BPOLB
SCHEMBL6404851 0.78 POLB (0.76) DRD2DRD3GRIN1GRIN2BPOLB
SCHEMBL3027334 0.78 DRD2 (0.57) DRD2DRD3DRD4HTR1AKMT2A
SCHEMBL3029994 0.77 DRD2 (0.76) DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL11456785 0.76 SIGMAR1 (0.51) DRD2DRD4HTR1A
SCHEMBL2702018 0.76 DRD2 (1.00) DRD2DRD3DRD4GRIN1GRIN2B
SCHEMBL8394614 0.76 DRD2 (1.00) DRD2DRD3DRD4GRIN1GRIN2B
SCHEMBL2701521 0.76 DRD2 (1.00) DRD2DRD3DRD4GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227604-B2 Hybrid 2-aminotetralin and aryl-substituted piperazine compounds and their use in altering CNS activity WAYNE STATE UNIVERSITY (US) 2012-07-24 US disclosed
US-20100210663-A1 Hybrid 2-Aminotetralin and Aryl-Substituted Piperazine Compounds and their Use in Altering CNS Activity WAYNE STATE UNIVERSITY (US) 2010-08-19 US disclosed
US-7723519-B2 Hybrid 2-aminoterailin and aryl-substituted piperazine compounds and their use in altering CNS activity WAYNE STATE UNIVERSITY (US) 2010-05-25 US disclosed
US-20060020132-A1 Hybrid 2-aminoterailin and aryl-substituted piperazine compounds and their use in altering CNS activity WAYNE STATE UNIVERSITY (US) 2006-01-26 US disclosed
US-6982332-B2 Hybrid 2-aminotetralin and aryl-substituted piperazine compounds and their use in altering CNS activity WAYNE STATE UNIVERSITY (US) 2006-01-03 US disclosed
US-20030195219-A1 Hybrid 2-aminotetralin and aryl-substituted piperazine compounds and their use in altering cns activity WAYNE STATE UNIVERSITY 2003-10-16 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 (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-20030195219-A1 Hybrid 2-aminotetralin and aryl-substituted piperazine compounds and their use in altering cns activity HTR3A, HTR3C, HTR2C DRD2 5/4885DRD3 7/4885DRD4 28/4885
US-20100210663-A1 Hybrid 2-Aminotetralin and Aryl-Substituted Piperazine Compounds and their Use in Altering CNS Activity HTR3A, HTR3C, HTR2C DRD2 5/4885DRD3 7/4885DRD4 29/4885
US-20060020132-A1 Hybrid 2-aminoterailin and aryl-substituted piperazine compounds and their use in altering CNS activity HTR3A, DRD3, DRD2 DRD2 3/4885DRD3 2/4885DRD4 12/4885

“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.