SCHEMBL3027334

SCHEMBL3027334

COc1ccc2c(c1)CC(NCCCCN1CCN(c3cccc(Cl)c3Cl)CC1)CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.57
DRD4 P21917 10/20 0.57
DRD3 P35462 10/20 0.55
OPRM1 P35372 2/20 0.55
FAAH O00519 2/20 0.51
HTR2A P28223 3/20 0.49
HTR1A P08908 2/20 0.48
HTR7 P34969 2/20 0.48
HTR6 P50406 2/20 0.48
HTR3E A5X5Y0 1/20 0.48
MEN1 O00255 1/20 0.48
MLNR O43193 1/20 0.48
HTR3B O95264 1/20 0.48
ABCB11 O95342 1/20 0.48
ESR1 P03372 1/20 0.48
PGR P06401 1/20 0.48
ADRB2 P07550 1/20 0.48
CHRM2 P08172 1/20 0.48
ABCB1 P08183 1/20 0.48
ADRB1 P08588 1/20 0.48

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 0.84 DRD2 (0.57) DRD2DRD4DRD3HTR1AKCNH2
SCHEMBL3028462 0.80 DRD2 (0.80) DRD2DRD4DRD3
SCHEMBL3024745 0.78 DRD2 (0.79) DRD2DRD4DRD3OPRM1
SCHEMBL3033909 0.78 DRD2 (0.60) DRD2DRD4DRD3HTR1AKMT2A
SCHEMBL19596737 0.72 DRD2 (0.71) DRD2DRD4DRD3FAAHHTR2A
SCHEMBL17898231 0.71 DRD3 (0.60) DRD2DRD4DRD3HTR2AHTR7
SCHEMBL2702018 0.71 DRD2 (1.00) DRD2DRD4DRD3ACHEHTR1D
SCHEMBL8394614 0.71 DRD2 (1.00) DRD2DRD4DRD3ACHEHTR1D
SCHEMBL2701521 0.71 DRD2 (1.00) DRD2DRD4DRD3ACHEHTR1D
Hydrochloric Acid SCHEMBL6339640 0.70 DRD2 (0.97) DRD2DRD4DRD3ACHEHTR1D

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 5/4885DRD4 28/4885DRD3 7/4885
US-20100210663-A1 Hybrid 2-Aminotetralin and Aryl-Substituted Piperazine Compounds and their Use in Altering CNS Activity HTR3A, HTR3C, HTR2C DRD2 5/4885DRD4 29/4885DRD3 7/4885
US-20060020132-A1 Hybrid 2-aminoterailin and aryl-substituted piperazine compounds and their use in altering CNS activity HTR3A, DRD3, DRD2 DRD2 3/4885DRD4 12/4885DRD3 2/4885

“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.