SCHEMBL1532949

SCHEMBL1532949

CC(C)(C)OC(=O)N1CCC(CCCN2CCN(c3nccc4ccccc34)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.50
▸ DRD3 P35462 2/20 0.50
▸ FAAH O00519 1/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ ACHE P22303 2/20 0.49
▸ HRH4 Q9H3N8 1/20 0.48
▸ GPR119 Q8TDV5 6/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ GBA1 P04062 1/20 0.44

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
SCHEMBL1255986 0.86 ACHE (0.59) ACHEHRH4GPR119GBA1
SCHEMBL17861451 0.81 DRD2 (0.60) DRD2DRD3FAAHDRD4HRH4
SCHEMBL5444991 0.80 ACHE (0.57) FAAHACHEGPR119KDM4EPKM
SCHEMBL17865228 0.80 DRD2 (0.51) DRD2DRD3DRD4ACHEHRH4
SCHEMBL12736157 0.79 HTR2C (0.61) DRD2DRD3DRD4HTR1AACHE
SCHEMBL12509153 0.79 DRD2 (0.51) DRD2DRD3FAAHDRD4HTR1A
Hydrochloric Acid SCHEMBL1532724 0.78 HTR2C (0.60) DRD2DRD3DRD4HTR1AACHE
SCHEMBL16272021 0.75 GPR119 (0.53) ACHEGPR119KDM4E
SCHEMBL17845040 0.75 HRH4 (0.53) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL13806492 0.75 DRD2 (0.47) DRD2DRD3DRD4HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2607362-B1 Piperidine and piperazine carboxylates as FAAH inhibitors ASTELLAS PHARMA INC (JP) 2014-12-31 — — EP disclosed
EP-1849773-B1 Piperazine derivatives for the treatment of urinary incontinence and pain ASTELLAS PHARMA INC (JP) 2013-10-16 — — EP disclosed
EP-2607362-A1 Piperidine and piperazine carboxylates as FAAH inhibitors Astellas Pharma Inc. (JP) 2013-06-26 — — EP disclosed
US-7919494-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-04-05 — — US disclosed
US-7919495-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-04-05 — — US disclosed
US-7915261-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-03-29 — — US disclosed
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound ASTELLAS PHARMA INC. (JP) 2010-01-14 — — US disclosed
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound ASTELLAS PHARMA INC. (JP) 2010-01-14 — — US disclosed
US-20080306046-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Derivative FMC CORPORATION (US) 2008-12-11 — — US disclosed
EP-1849773-A1 PYRIDYL NON-AROMATIC NITROGENATED HETEROCYCLIC-1-CARBOXYLATE ESTER DERIVATIVE Astellas Pharma Inc. (JP) 2007-10-31 — — EP 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-20080306046-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Derivative FAAH, FAAH2, APEH DRD2 2051/4885DRD3 2494/4885FAAH 1/4885
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR2 DRD2 2047/4885DRD3 2696/4885FAAH 1/4885
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR1 DRD2 2101/4885DRD3 2723/4885FAAH 1/4885

“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.

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