SCHEMBL3286537

SCHEMBL3286537

CCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3CCCC4)CC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.64
DRD3 P35462 15/20 0.64
HTR2A P28223 11/20 0.64
HTR1A P08908 3/20 0.56
DRD1 P21728 2/20 0.56
DRD4 P21917 2/20 0.56
HTR2C P28335 2/20 0.56
HTR2B P41595 2/20 0.56

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
SCHEMBL3286535 1.00 DRD2 (0.64) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL3280803 0.98 DRD2 (0.64) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL3280796 0.98 DRD2 (0.64) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL3284318 0.90 DRD2 (0.63) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL3284321 0.90 DRD2 (0.63) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL4486587 0.90 DRD2 (0.59) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL13629958 0.90 DRD2 (0.59) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL13629976 0.90 DRD2 (0.68) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL4495962 0.90 DRD2 (0.68) DRD2DRD3HTR2AHTR1ADRD1
SCHEMBL4501460 0.89 DRD2 (0.67) DRD2DRD3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705003-B2 Cyclohexylamides as dopamine D3, D2 and 5-HT1A Antagonists RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2010-04-27 US claimed
US-20080103140-A1 trans-N-{4-[2-[4-(indan-4-yl)-piperazin-1-yl]-ethyl]-cyclohexyl}-acetamidethe; highest affinity to D3 receptor; no disadvantages of each individual receptor action; antidepressant, anxiolitic agent, cognition activator; psychoses, schizophrenia, drug (alcohol, cocaine and nicotine) abuse, hyperactivity RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-05-01 US claimed
US-7705003-B2 Cyclohexylamides as dopamine D3, D2 and 5-HT1A Antagonists RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2010-04-27 US disclosed
US-20080103140-A1 trans-N-{4-[2-[4-(indan-4-yl)-piperazin-1-yl]-ethyl]-cyclohexyl}-acetamidethe; highest affinity to D3 receptor; no disadvantages of each individual receptor action; antidepressant, anxiolitic agent, cognition activator; psychoses, schizophrenia, drug (alcohol, cocaine and nicotine) abuse, hyperactivity RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-05-01 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-20080103140-A1 trans-N-{4-[2-[4-(indan-4-yl)-piperazin-1-yl]-ethyl]-cyclohexyl}-acetamidethe; highest affinity to D3 receptor; no disadvantages of each individual receptor action; antidepressant, anxiolitic agent, cognition activator; psychoses, schizophrenia, drug (alcohol, cocaine and nicotine) abuse, hyperactivity CHRNA3, HTR3A, DRD2 DRD2 3/4885DRD3 6/4885HTR2A 22/4885

“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.