SCHEMBL632994

SCHEMBL632994

O=C(NCC1CNC1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HTT P42858 1/20 0.52
HTR2C P28335 1/20 0.52
CCKBR P32239 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 2/20 0.49
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47
TGM1 P22735 1/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
NAAA Q02083 1/20 0.47
TSHR P16473 1/20 0.47

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
Hydrochloric Acid SCHEMBL2826715 0.98 LMNA (0.54) LMNASMN1; SMN2HTTHTR2CCCKBR
SCHEMBL3982387 0.90 CCKBR (0.50) LMNASMN1; SMN2HTTHTR2CCCKBR
SCHEMBL12723408 0.90 CCKBR (0.50) LMNASMN1; SMN2HTTHTR2CCCKBR
SCHEMBL5338500 0.88 ALDH1A1 (0.50) LMNASMN1; SMN2HTTHTR2CCCKBR
SCHEMBL12722664 0.88 ALDH1A1 (0.50) LMNASMN1; SMN2HTTHTR2CCCKBR
SCHEMBL12722614 0.88 ALDH1A1 (0.50) LMNASMN1; SMN2HTTHTR2CCCKBR
SCHEMBL8393648 0.88 LMNA (0.58) LMNASMN1; SMN2HTTALDH1A1MEN1
SCHEMBL3947594 0.87 BRD4 (0.52) LMNASMN1; SMN2HTTCCKBRALDH1A1
Hydrochloric Acid SCHEMBL6307871 0.87 ALDH1A1 (0.49) LMNASMN1; SMN2HTTHTR2CCCKBR
Hydrochloric Acid SCHEMBL3947595 0.86 BRD4 (0.51) LMNASMN1; SMN2HTTCCKBRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 US disclosed
EP-2245028-B1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-22 EP disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
EP-2320895-A2 CDK MODULATORS Exelixis, Inc. (US) 2011-05-18 EP disclosed
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2011-01-06 US disclosed
EP-2245028-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-03 EP disclosed
EP-1781669-B1 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-10-13 EP disclosed
US-7655648-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-02-02 US disclosed
US-7655648-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-02-02 US disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 WO disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 WO disclosed
WO-2009077989-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO disclosed
US-20070244091-A1 Antibacterial Agents GLAXO GROUP LIMITED, A CORPORATION 2007-10-18 US disclosed
US-20070244091-A1 Antibacterial Agents GLAXO GROUP LIMITED, A CORPORATION 2007-10-18 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-20070244091-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 LMNA 2018/4885SMN1; SMN2 2534/4885HTT 3393/4885
US-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 LMNA 2517/4885SMN1; SMN2 1814/4885HTT 3918/4885
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES CNKSR1, KCNH1, CBR3 LMNA 1886/4885SMN1; SMN2 2326/4885HTT 2861/4885

“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.