SCHEMBL2849688

SCHEMBL2849688

NC1CCN(C(=O)O)CC1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP2C19 P33261 2/20 0.47
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
CTSC P53634 1/20 0.45
CTSF Q9UBX1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41

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
SCHEMBL2849683 1.00 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19CTSV
SCHEMBL18580306 0.87 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ACYP2C19CTSV
SCHEMBL3402153 0.86 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19L3MBTL1
SCHEMBL17861383 0.84 JAK2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL27484279 0.84 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ACYP2C19CTSV
SCHEMBL8134699 0.84 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ACYP2C19CTSV
SCHEMBL9774689 0.81 CARM1 (0.44) SMN1; SMN2NPC1RAB9ACYP2C19CTSV
SCHEMBL2526379 0.80 GRIN2D (0.52) SMN1; SMN2NPC1RAB9ACYP2C19CTSL
SCHEMBL2525766 0.80 GRIN2D (0.52) SMN1; SMN2NPC1RAB9ACYP2C19CTSL
SCHEMBL18426023 0.80 GRIN2D (0.52) SMN1; SMN2NPC1RAB9ACYP2C19CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233827-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2017-10-25 EP disclosed
WO-2016096686-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 WO 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 SMN1; SMN2 4001/4885NPC1 1573/4885RAB9A 2042/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A SMN1; SMN2 3604/4885NPC1 630/4885RAB9A 2487/4885

“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.