SCHEMBL3044251

SCHEMBL3044251

O=C(NCCCn1ccnc1)C(O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
QPCT Q16769 4/20 0.49
GAA P10253 1/20 0.49
NPC1 O15118 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
HIF1A Q16665 1/20 0.48
POLB P06746 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47

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
SCHEMBL3047751 0.99 L3MBTL1 (0.53) L3MBTL1SMN1; SMN2QPCTGAANPC1
SCHEMBL3034671 0.94 CHRM2 (0.48) SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL3047459 0.93 CHRM2 (0.49) SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL3049116 0.91 CYP11B1 (0.47) L3MBTL1SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL3043400 0.82 POLB (0.50) L3MBTL1SMN1; SMN2QPCTNPC1LMNA
SCHEMBL3051780 0.80 CHRM2 (0.47) CHRM2CHRM1CHRM3
SCHEMBL3042681 0.79 KEAP1 (0.51) CHRM2CHRM1CHRM3
SCHEMBL3047420 0.79 HTT (0.60) L3MBTL1LMNAHTTPOLBCHRM2
SCHEMBL3045355 0.79 CHRM2 (0.48) CHRM2CHRM1CHRM3
SCHEMBL4886108 0.78 KEAP1 (0.52) CHRM2CHRM1CHRM3

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 6 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
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

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 L3MBTL1 2478/4885SMN1; SMN2 3982/4885QPCT 3186/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B L3MBTL1 4866/4885SMN1; SMN2 2909/4885QPCT 3258/4885

“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.