SCHEMBL1713429

SCHEMBL1713429

CC(C)OC(=O)N1CC[CH]CCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.36
GPR119 Q8TDV5 10/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
FAAH O00519 1/20 0.34
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
PDK2 Q15119 1/20 0.33
KDM1A O60341 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1713628 0.93 GPR119 (0.39) PDE4BGPR119FAAHHRH2HRH1
SCHEMBL9987835 0.86 PDE4B (0.36) PDE4BGPR119CYP1A2CYP2C9ALDH1A1
SCHEMBL5412873 0.82 ALDH1A1 (0.42) PDE4BGPR119CYP1A2CYP2C9ALDH1A1
SCHEMBL2654623 0.82 TSHR (0.40) PDE4BGPR119CYP1A2CYP2C9ALDH1A1
SCHEMBL1713154 0.81 PDE4B (0.35) PDE4BGPR119FAAHHRH2HRH1
SCHEMBL12283406 0.81 ALDH1A1 (0.45) GPR119CYP1A2CYP2C9ALDH1A1POLB
SCHEMBL390019 0.81 ALDH1A1 (0.45) GPR119CYP1A2CYP2C9ALDH1A1POLB
SCHEMBL12282193 0.81 ALDH1A1 (0.45) GPR119CYP1A2CYP2C9ALDH1A1POLB
SCHEMBL1712991 0.79 CYP1A2 (0.45) CYP1A2CYP2C9ALDH1A1POLBMEN1
Hydrochloric Acid SCHEMBL27849320 0.79 ALDH1A1 (0.44) GPR119CYP1A2CYP2C9ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263605-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-11 US claimed
US-20090227614-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-09-10 US claimed
EP-1987034-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2008-11-05 EP claimed
WO-2007100670-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 WO claimed
US-8263605-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-11 US disclosed
EP-1987034-B1 SPIRO CONDENSED PIPERIDINES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMA (US) 2011-07-20 EP disclosed
US-20090227614-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
EP-1987034-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmceuticals Incorporated (US) 2008-11-05 EP disclosed
WO-2007100670-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 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 (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-20090227614-A1 Modulators of Muscarinic Receptors CHRM5, CHRM3, CHRM2 PDE4B 481/4885GPR119 44/4885CYP1A2 830/4885

“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.