SCHEMBL3201448

SCHEMBL3201448

CN1CC2CCC(C1)C2COC(=O)C(O)(c1ccccc1)C1CCCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 2/20 0.56
POLB P06746 1/20 0.56
HTT P42858 1/20 0.56
CYP3A4 P08684 3/20 0.55
CYP2D6 P10635 2/20 0.55
KCNH2 Q12809 3/20 0.55
CHRM2 P08172 3/20 0.55
CHRM1 P11229 3/20 0.55
CHRM3 P20309 3/20 0.55
CYP2C19 P33261 2/20 0.55
SLC6A3 Q01959 2/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 1/20 0.55
NFKB1 P19838 1/20 0.55
THPO P40225 1/20 0.55
ABCB11 O95342 1/20 0.55
ESR1 P03372 1/20 0.55
CHRM4 P08173 1/20 0.55
CHRM5 P08912 1/20 0.55

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
SCHEMBL3222102 1.00 ALDH1A1 (0.56) ALDH1A1CYP1A2POLBHTTCYP3A4
SCHEMBL3222150 0.86 HTT (0.53) ALDH1A1CYP1A2POLBHTTCYP3A4
SCHEMBL3214986 0.86 HTT (0.53) ALDH1A1CYP1A2POLBHTTCYP3A4
SCHEMBL3213574 0.85 CHRM3 (0.58) ALDH1A1CYP1A2POLBHTTCYP3A4
SCHEMBL3226729 0.85 CHRM3 (0.58) ALDH1A1CYP1A2POLBHTTCYP3A4
SCHEMBL4179648 0.85 CHRM3 (0.53) ALDH1A1CYP1A2POLBHTTCYP3A4
SCHEMBL4184498 0.81 ALDH1A1 (0.67) ALDH1A1CYP1A2POLBHTTCYP3A4
SCHEMBL3224624 0.80 POLB (0.52) ALDH1A1CYP1A2POLBHTTCYP3A4
SCHEMBL3224057 0.80 POLB (0.52) ALDH1A1CYP1A2POLBHTTCYP3A4
SCHEMBL3216726 0.80 ALDH1A1 (0.49) ALDH1A1CHRM2CHRM1CHRM3CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-03-04 US claimed
US-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-03-04 US disclosed
EP-2059505-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2009-05-20 EP disclosed
WO-2008029349-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-03-13 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-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 ALDH1A1 2093/4885CYP1A2 309/4885POLB 2648/4885

“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.