SCHEMBL15380355

SCHEMBL15380355

CC(C)(C)OC(=O)C1CN(c2cccnc2)C1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.58
CHRNB2 P17787 7/20 0.47
CHRNA4 P43681 7/20 0.47
CHRNA7 P36544 2/20 0.46
CHRNB4 P30926 4/20 0.45
CHRNA3 P32297 4/20 0.45
GRM1 Q13255 2/20 0.42
CHRM4 P08173 1/20 0.42
GRM5 P41594 1/20 0.41
NAMPT P43490 1/20 0.40

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
SCHEMBL652595 0.81 GPR119 (0.71) GPR119CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL21847896 0.81 GPR119 (0.55) GPR119CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL652594 0.81 GPR119 (0.71) GPR119CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL30456375 0.80 CHRNB2 (0.54) GPR119CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL15379126 0.78 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL652041 0.78 GPR119 (0.60) GPR119CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL30282995 0.77 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL15530708 0.77 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL30599872 0.76 GPR119 (0.50) GPR119CHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL30599886 0.76 GPR119 (0.50) GPR119CHRNB2CHRNA4CHRNA7CHRNB4

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-20170065575-A1 NAMPT INHIBITORS ABBVIE INC (US) 2017-03-09 US disclosed
US-20150141398-A1 NAMPT INHIBITORS ABBVIE INC. 2015-05-21 US disclosed
EP-2847181-A1 PYRIDAZINE AND PYRIDINE DERIVATIVES AS NAMPT INHIBITORS AbbVie Inc. (US) 2015-03-18 EP disclosed
US-8975398-B2 NAMPT inhibitors ABBVIE INC. (US) 2015-03-10 US disclosed
WO-2013170115-A1 PYRIDAZINE AND PYRIDINE DERIVATIVES AS NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO disclosed
US-20130303510-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 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 (3 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-20150141398-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT GPR119 662/4885CHRNB2 1991/4885CHRNA4 2792/4885
US-20170065575-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT GPR119 662/4885CHRNB2 1991/4885CHRNA4 2792/4885
US-20130303510-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT GPR119 662/4885CHRNB2 1991/4885CHRNA4 2792/4885

“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.