SCHEMBL3042269

SCHEMBL3042269

CC1=NCCN1CC(=O)C(O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.51
CHRM1 P11229 9/20 0.51
HRH1 P35367 1/20 0.51
KCNH2 Q12809 1/20 0.51
SLC29A1 Q99808 1/20 0.51
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
CHRM3 P20309 13/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.44
CYP1A2 P05177 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
SCHEMBL4879774 0.99 KEAP1 (0.50) CHRM2CHRM1HRH1KCNH2SLC29A1
SCHEMBL3044199 0.86 CHRM3 (0.47) CHRM2CHRM1HRH1KCNH2SLC29A1
SCHEMBL4887507 0.78 HTT (0.60) CHRM2CHRM1HRH1KCNH2CYP3A4
SCHEMBL4885092 0.78 HTT (0.60) CHRM2CHRM1HRH1KCNH2CYP3A4
SCHEMBL4889750 0.76 KEAP1 (0.60) CHRM2CHRM1HRH1KCNH2CYP3A4
SCHEMBL9193108 0.76 CHRM3 (0.65) CHRM2CHRM1CYP3A4KEAP1NFE2L2
Hydrochloric Acid SCHEMBL9197639 0.75 CHRM3 (0.64) CHRM2CHRM1LMNACYP3A4KEAP1
SCHEMBL3049247 0.75 KEAP1 (0.49) CHRM2CHRM1HRH1KCNH2SLC29A1
SCHEMBL13592212 0.74 CHRM3 (0.55) CHRM2CHRM1HRH1KCNH2CYP3A4
SCHEMBL4886224 0.74 KEAP1 (0.50) CHRM2CHRM1KEAP1NFE2L2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US claimed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US claimed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP claimed
CN-101379040-A Muscarinic receptor antagonists RANBAXY LAB LTD (IN) 2009-03-04 CN claimed
EP-1968945-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-09-17 EP claimed
WO-2007077510-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 WO claimed
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
US-20100222386-A1 SUBSTITUTED PIPERIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-7767695-B2 Substituted piperidines HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-03 US disclosed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US disclosed
EP-1434765-B1 SUBSTITUTED PIPERIDINES WITH SELECTIVE BINDING TO HISTAMINE H3-RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-12-02 EP disclosed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP disclosed
CN-101379040-A Muscarinic receptor antagonists RANBAXY LAB LTD (IN) 2009-03-04 CN disclosed
EP-1968945-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-09-17 EP disclosed
WO-2007077510-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 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 (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-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885HRH1 15/4885
US-20100222386-A1 SUBSTITUTED PIPERIDINES HRH3, HRH4, HRH2 CHRM2 115/4885CHRM1 178/4885HRH1 4/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CHRM2 84/4885CHRM1 158/4885HRH1 587/4885

“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.