SCHEMBL2848035

SCHEMBL2848035

CCOC1CN(C(=O)O)CCC1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
MAPT P10636 2/20 0.33
CHRM1 P11229 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DPP4 P27487 4/20 0.31
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL2848032 1.00 GAA (0.38) GAANOS3NOS2MAPTCHRM1
SCHEMBL2848304 0.88 TAAR1 (0.35) GAANOS3NOS2GNAI3GNAO1
SCHEMBL2848301 0.88 TAAR1 (0.35) GAANOS3NOS2GNAI3GNAO1
SCHEMBL3230941 0.87 GAA (0.38) GAANOS3NOS2MAPTCHRM1
SCHEMBL405104 0.86 GAA (0.51) GAANOS3NOS2MAPTCHRM1
SCHEMBL403641 0.86 GAA (0.51) GAANOS3NOS2MAPTCHRM1
SCHEMBL9721727 0.86 GAA (0.51) GAANOS3NOS2MAPTCHRM1
SCHEMBL2849984 0.85 GNAI3 (0.38) GNAI3GNAO1GNAI1ALDH1A1SMN1; SMN2
SCHEMBL2849981 0.85 GNAI3 (0.38) GNAI3GNAO1GNAI1ALDH1A1SMN1; SMN2
SCHEMBL2128320 0.85 ALDH1A1 (0.34) GAAALDH1A1SMN1; SMN2DPP4

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
EP-3356361-A1 HYDROXYALKYL THIADIAZOLE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-08-08 EP disclosed
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
EP-1853586-B1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2013-07-24 EP disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A GAA 1609/4885NOS3 2006/4885NOS2 1164/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A GAA 1089/4885NOS3 1258/4885NOS2 625/4885

“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.