SCHEMBL6068170

SCHEMBL6068170

COc1ccccc1N1CCN(C[C@H](N)CC2CCCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.52
DRD3 P35462 3/20 0.52
ADRA1A P35348 2/20 0.52
RECQL P46063 1/20 0.51
IGF1R P08069 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR1A P08908 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49

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
Hydrochloric Acid SCHEMBL6313945 0.98 RECQL (0.52) DRD2DRD3ADRA1ARECQLIGF1R
SCHEMBL6068410 0.86 DRD2 (0.50) DRD2DRD3ADRA1ARECQLIGF1R
SCHEMBL6068415 0.84 RECQL (0.55) DRD2DRD3ADRA1ARECQLIGF1R
SCHEMBL6068501 0.84 ADRA1A (0.55) DRD2DRD3ADRA1ARECQLMEN1
SCHEMBL6311976 0.82 GAA (0.46) DRD2ADRA1AMEN1KMT2AHTR1A
SCHEMBL6068249 0.81 DRD2 (0.55) DRD2MEN1KMT2A
SCHEMBL13698446 0.81 DRD2 (0.61) DRD2DRD3ADRA1AHTR1A
SCHEMBL6068479 0.81 DRD2 (0.54) DRD2DRD3ADRA1ARECQLMEN1
SCHEMBL7758380 0.79 DRD2 (0.61) DRD2DRD3ADRA1AMEN1KMT2A
SCHEMBL6068262 0.79 ALDH1A1 (0.57) DRD2DRD3ADRA1AMEN1KMT2A

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-6696450-B2 Serotonergic agents with long-acting in vivo effects WYETH 2004-02-24 US claimed
US-20030191135-A1 Serotonergic agents with long-acting in vivo effects WYETH 2003-10-09 US claimed
US-6518272-B2 HT3 receptor agonists and antagonists; treatment of anxiety, depression, cognitive deficits, and prostate cancer WYETH 2003-02-11 US claimed
WO-2002085871-A2 SEROTONERGIC AGENTS WITH LONG-ACTING IN VIVO EFFECTS WYETH (US) 2002-10-31 WO claimed
US-20020156075-A1 Cycloalkyl-substituted aryl-piperazines, piperidines and tetrahydropyridines as serotonergic agents WYETH (FORMERLY AMERICAN HOME PRODUCTS CORPORATION) (US) 2002-10-24 US claimed
US-6376494-B1 USED IN THE TREATMENT OF ANXIETY AND DEPRESSION AMERICAN HOME PRODUCTS CORPORATION 2002-04-23 US claimed
US-7049330-B2 Cycloalkyl-substituted aryl-piperazines, piperidines and tetrahydropyridines as serotonergic agents WYETH (US) 2006-05-23 US disclosed
US-20050202412-A1 Serotonergic agents with long-acting in vivo effects WYETH (US) 2005-09-15 US disclosed
US-6894053-B2 Serotonergic agents with long-acting in vivo effects WYETH (US) 2005-05-17 US disclosed
US-20040127505-A1 Serotonergic Agents with long-acting in vivo effects WYETH (US) 2004-07-01 US disclosed
US-6696450-B2 Serotonergic agents with long-acting in vivo effects WYETH 2004-02-24 US disclosed
US-20030191135-A1 Serotonergic agents with long-acting in vivo effects WYETH 2003-10-09 US disclosed
US-20030139449-A1 Cycloalkyl-substituted aryl-piperazines, piperidines and tetrahydropyridines as serotonergic agents WYETH (US) 2003-07-24 US disclosed
US-6518272-B2 HT3 receptor agonists and antagonists; treatment of anxiety, depression, cognitive deficits, and prostate cancer WYETH 2003-02-11 US disclosed
WO-2002085871-A2 SEROTONERGIC AGENTS WITH LONG-ACTING IN VIVO EFFECTS WYETH (US) 2002-10-31 WO disclosed
US-20020156075-A1 Cycloalkyl-substituted aryl-piperazines, piperidines and tetrahydropyridines as serotonergic agents WYETH (FORMERLY AMERICAN HOME PRODUCTS CORPORATION) (US) 2002-10-24 US disclosed
US-6376494-B1 USED IN THE TREATMENT OF ANXIETY AND DEPRESSION AMERICAN HOME PRODUCTS CORPORATION 2002-04-23 US disclosed
EP-1087954-A1 CYCLOALKYL-SUBSTITUTED ARYL-PIPERAZINES, PIPERIDINES AND TETRAHYDROPYRIDINES AS SEROTONERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-04-04 EP disclosed
WO-1999065887-A1 CYCLOALKYL-SUBSTITUTED ARYL-PIPERAZINES, PIPERIDINES AND TETRAHYDROPYRIDINES AS SEROTONERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-23 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 (5 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-20040127505-A1 Serotonergic Agents with long-acting in vivo effects HTR1A, TPH1, TPH2 DRD2 79/4885DRD3 131/4885ADRA1A 23/4885
US-20030139449-A1 Cycloalkyl-substituted aryl-piperazines, piperidines and tetrahydropyridines as serotonergic agents HTR5A, MC5R, CHRNA5 DRD2 59/4885DRD3 65/4885ADRA1A 36/4885
US-20030191135-A1 Serotonergic agents with long-acting in vivo effects HTR1A, TPH1, TPH2 DRD2 79/4885DRD3 131/4885ADRA1A 23/4885
US-20020156075-A1 Cycloalkyl-substituted aryl-piperazines, piperidines and tetrahydropyridines as serotonergic agents HTR5A, MC5R, CHRNA5 DRD2 59/4885DRD3 65/4885ADRA1A 36/4885
US-20050202412-A1 Serotonergic agents with long-acting in vivo effects HTR1A, HTR5A, TPH1 DRD2 51/4885DRD3 106/4885ADRA1A 53/4885

“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.