SCHEMBL19699484

SCHEMBL19699484

CC(C)C(=O)N1CCO[C@H](C)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 1/20 0.52
PDK1 Q15118 3/20 0.51
CHRNB2 P17787 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHRNB3 Q05901 1/20 0.43
CHRNA6 Q15825 1/20 0.43
VNN1 O95497 2/20 0.39
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE4B Q07343 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL19699503 1.00 GLRA1 (0.52) GLRA1PDK1CHRNB2CHRNA3CHRNA4
SCHEMBL12233362 1.00 GLRA1 (0.52) GLRA1PDK1CHRNB2CHRNA3CHRNA4
SCHEMBL6043763 0.87 GLRA1 (0.51) GLRA1PDK1VNN1ALDH1A1MEN1
SCHEMBL15788121 0.84 PDK1 (0.50) GLRA1PDK1VNN1ALDH1A1SMN1; SMN2
SCHEMBL20671994 0.84 MEN1 (0.44) GLRA1PDK1CHRNB2CHRNA3CHRNA4
SCHEMBL22681134 0.83 PDK1 (0.50) GLRA1PDK1NPC1PKMPIK3CD
SCHEMBL14773659 0.80 CHRNB2 (0.42) GLRA1PDK1CHRNB2CHRNA3CHRNA4
SCHEMBL12206947 0.80 CHRNB2 (0.42) GLRA1PDK1CHRNB2CHRNA3CHRNA4
SCHEMBL12206888 0.80 CHRNB2 (0.42) GLRA1PDK1CHRNB2CHRNA3CHRNA4
SCHEMBL12331619 0.80 CHRNB2 (0.42) GLRA1PDK1CHRNB2CHRNA3CHRNA4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220220110-A1 METHYL- AND TRIFLUOROMETHYL-CONTAINING DISUBSTITUTED SULFONAMIDE SELECTIVE BCL-2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-07-14 US disclosed
US-10266525-B2 Processes for preparing 2-(6-(1H-indol-4-yl)-1H-indazol-4-yl)-5-((4-isopropylpiperazin-1-yl)methyl)oxazole GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-23 US disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 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 (4 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-20220220110-A1 METHYL- AND TRIFLUOROMETHYL-CONTAINING DISUBSTITUTED SULFONAMIDE SELECTIVE BCL-2 INHIBITOR BCL2L11, BCL2, BCL2L1 GLRA1 3231/4885PDK1 1208/4885CHRNB2 4784/4885
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GLRA1 3914/4885PDK1 439/4885CHRNB2 4378/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GLRA1 3917/4885PDK1 431/4885CHRNB2 4402/4885
US-10266525-B2 Processes for preparing 2-(6-(1H-indol-4-yl)-1H-indazol-4-yl)-5-((4-isopropylpiperazin-1-yl)methyl)oxazole IPO4, CYP3A4, CYP4B1 GLRA1 3662/4885PDK1 936/4885CHRNB2 2472/4885

“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.