SCHEMBL14709891

SCHEMBL14709891

CC(C)OC(=O)N1CC2COCC(C1)N2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 15/20 0.43
CHRNA3 P32297 15/20 0.43
CHRNA4 P43681 15/20 0.43
CHRNB3 Q05901 14/20 0.43
CHRNA6 Q15825 14/20 0.43
GPR119 Q8TDV5 3/20 0.38
CYP3A4 P08684 1/20 0.35
CHRNB4 P30926 1/20 0.35
HDAC2 Q92769 1/20 0.32

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
SCHEMBL1979172 0.86 CHRNB2 (0.58) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL14709894 0.80 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10214995 0.79 GPR119 (0.41) CHRNB2CHRNA3CHRNA4GPR119CHRNB4
SCHEMBL14791637 0.79 GPR119 (0.41) CHRNB2CHRNA3CHRNA4GPR119CHRNB4
SCHEMBL17992194 0.79 GPR119 (0.41) CHRNB2CHRNA3CHRNA4GPR119CHRNB4
SCHEMBL288005 0.79 GPR119 (0.41) CHRNB2CHRNA3CHRNA4GPR119CHRNB4
SCHEMBL14706990 0.79 GPR119 (0.39) CHRNB2CHRNA3CHRNA4GPR119CHRNB4
SCHEMBL288006 0.79 GPR119 (0.41) CHRNB2CHRNA3CHRNA4GPR119CHRNB4
SCHEMBL14709892 0.78 TSHR (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL11993158 0.78 GPR119 (0.41) CHRNB2CHRNA3CHRNA4GPR119CYP3A4

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-20170342089-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2017-11-30 US disclosed
US-9777018-B2 Compounds as modulators of GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2017-10-03 US disclosed
US-9181214-B2 Bicyclic compounds as modulators of GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2015-11-10 US disclosed
US-20130045986-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2013-02-21 US 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-20130045986-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 GPR119, GPR39, GPBAR1 CHRNB2 230/4885CHRNA3 308/4885CHRNA4 403/4885
US-20170342089-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 GPR119, GPR39, GPBAR1 CHRNB2 230/4885CHRNA3 308/4885CHRNA4 403/4885

“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.