SCHEMBL3042271

SCHEMBL3042271

CN(CCn1ccnc1)C(=O)C(O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CHRM2 P08172 2/20 0.45
CHRM1 P11229 2/20 0.45
KCNH2 Q12809 2/20 0.45
HRH1 P35367 1/20 0.45
SLC29A1 Q99808 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
CHRM3 P20309 4/20 0.44
CYP3A4 P08684 2/20 0.44
LMNA P02545 1/20 0.44
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
ABCB11 O95342 1/20 0.42

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
SCHEMBL3053693 0.99 ALDH1A1 (0.47) POLBALDH1A1CHRM2CHRM1KCNH2
SCHEMBL5134240 0.80 ALDH1A1 (0.47) POLBALDH1A1CHRM2CHRM1KCNH2
SCHEMBL3042681 0.79 KEAP1 (0.51) CHRM2CHRM1KEAP1NFE2L2CHRM3
SCHEMBL3034671 0.79 CHRM2 (0.48) CHRM2CHRM1KEAP1NFE2L2CHRM3
SCHEMBL3047420 0.79 HTT (0.60) POLBALDH1A1CHRM2CHRM1KCNH2
SCHEMBL18196840 0.79 POLB (0.65) POLBALDH1A1CHRM2CHRM1KCNH2
Iodide SCHEMBL3038907 0.79 ALDH1A1 (0.46) POLBALDH1A1CHRM2CHRM1KCNH2
SCHEMBL4886108 0.78 KEAP1 (0.52) CHRM2CHRM1KEAP1NFE2L2CHRM3
SCHEMBL3047459 0.78 CHRM2 (0.49) CHRM2CHRM1KEAP1NFE2L2CHRM3
SCHEMBL3055269 0.78 HTT (0.58) 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 8 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
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US 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
CN-101379040-A Muscarinic receptor antagonists RANBAXY LAB LTD (IN) 2009-03-04 CN 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 (2 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 3807/4885ALDH1A1 1738/4885CHRM2 2/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B POLB 1328/4885ALDH1A1 2460/4885CHRM2 84/4885

“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.