SCHEMBL3034671

SCHEMBL3034671

O=C(NCCn1ccnc1)C(O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.48
CHRM1 P11229 9/20 0.48
CHRM3 P20309 9/20 0.48
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3047459 0.99 CHRM2 (0.49) CHRM2CHRM1CHRM3CYP11B1CYP11B2
SCHEMBL3049116 0.97 CYP11B1 (0.47) CHRM2CHRM1CHRM3CYP11B1CYP11B2
SCHEMBL3044251 0.94 L3MBTL1 (0.52) CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL3047751 0.93 L3MBTL1 (0.53) CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL3043400 0.88 POLB (0.50) CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL3042681 0.81 KEAP1 (0.51) CHRM2CHRM1CHRM3CYP11B1CYP11B2
SCHEMBL3047420 0.81 HTT (0.60) CHRM2CHRM1CHRM3KEAP1NFE2L2
SCHEMBL3044777 0.81 CYP11B1 (0.52) CYP11B1CYP11B2SMN1; SMN2
SCHEMBL4886108 0.80 KEAP1 (0.52) CHRM2CHRM1CHRM3CYP11B1CYP11B2
SCHEMBL3055269 0.80 HTT (0.58) CHRM2CHRM1CHRM3CYP11B1CYP11B2

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 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B CHRM2 84/4885CHRM1 158/4885CHRM3 88/4885

“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.