SCHEMBL3137218

SCHEMBL3137218

Cc1nccn1CCOC(=O)C(O)(c1ccccc1)C1CCCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
HTT P42858 1/20 0.58
ALDH1A1 P00352 3/20 0.57
CHRM2 P08172 3/20 0.56
CHRM1 P11229 3/20 0.56
KCNH2 Q12809 3/20 0.56
SLC6A3 Q01959 2/20 0.56
HRH1 P35367 1/20 0.54
SLC29A1 Q99808 1/20 0.54
CYP3A4 P08684 3/20 0.53
LMNA P02545 2/20 0.53
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CHRM3 P20309 2/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
THPO P40225 1/20 0.52
ABCB11 O95342 1/20 0.52

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
SCHEMBL3040562 1.00 POLB (0.58) POLBHTTALDH1A1CHRM2CHRM1
SCHEMBL3042280 0.99 ALDH1A1 (0.58) POLBHTTALDH1A1CHRM2CHRM1
SCHEMBL2793876 0.94 HTT (0.64) POLBHTTALDH1A1CHRM2CHRM1
SCHEMBL3048703 0.93 HTT (0.62) POLBHTTALDH1A1CHRM2CHRM1
SCHEMBL3044988 0.87 POLB (0.55) POLBHTTALDH1A1CHRM2CHRM1
SCHEMBL3044573 0.87 POLB (0.55) POLBHTTALDH1A1CHRM2CHRM1
SCHEMBL3677123 0.87 ALDH1A1 (0.46) POLBHTTALDH1A1CHRM2CHRM1
SCHEMBL3673737 0.87 ALDH1A1 (0.46) POLBHTTALDH1A1CHRM2CHRM1
SCHEMBL3034639 0.86 ALDH1A1 (0.55) POLBHTTALDH1A1CHRM2CHRM1
SCHEMBL3049247 0.82 KEAP1 (0.49) POLBALDH1A1CHRM2CHRM1KCNH2

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 13 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
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-8420810-B2 Bicyclic heterocyclic compound Ono Pharmaceutical, Co., Ltd. (JP) 2013-04-16 US disclosed
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
US-20100137318-A1 BICYCLIC HETEROCYCLIC COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-03 US disclosed
EP-2154139-A1 BICYCLIC HETEROCYCLIC COMPOUND ONO Pharmaceutical Co., Ltd. (JP) 2010-02-17 EP disclosed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US disclosed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP 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 POLB 3807/4885HTT 2126/4885ALDH1A1 1738/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B POLB 1328/4885HTT 4847/4885ALDH1A1 2460/4885
US-20100137318-A1 BICYCLIC HETEROCYCLIC COMPOUND CRH, CRHR1, NR3C2 POLB 3222/4885HTT 2652/4885ALDH1A1 1435/4885

“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.