SCHEMBL1246086

SCHEMBL1246086

COC(CNC1CCCCC1)OC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
ANPEP P15144 2/20 0.43
ERAP2 Q6P179 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTR1A P08908 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL1246156 1.00 KDM4E (0.54) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL2698028 1.00 KDM4E (0.54) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL1246790 0.98 KDM4E (0.50) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL27036944 0.89 MEN1 (0.42) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL3552579 0.81 KDM4E (0.52) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL9909550 0.81 KDM4E (0.52) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL12801234 0.81 MEN1 (0.38) KDM4EMEN1GAAKMT2AALDH1A1
SCHEMBL934315 0.79 KDM4E (0.50) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL7775092 0.77 KDM4E (0.62) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL7775213 0.77 KDM4E (0.62) KDM4EANPEPERAP2HTTSMN1; SMN2

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459572-B1 SPIROCYCLIC AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2018-09-12 EP disclosed
US-9598381-B2 SMYD2 inhibitors ABBVIE INC. (US) 2017-03-21 US disclosed
US-9598381-B2 SMYD2 inhibitors ABBVIE INC. (US) 2017-03-21 US disclosed
US-9598381-B2 SMYD2 inhibitors ABBVIE INC. (US) 2017-03-21 US disclosed
US-20160031838-A1 SMYD2 INHIBITORS ABBVIE INC. 2016-02-04 US disclosed
US-20160031838-A1 SMYD2 INHIBITORS ABBVIE INC. 2016-02-04 US disclosed
US-20160031838-A1 SMYD2 INHIBITORS ABBVIE INC. 2016-02-04 US disclosed
CN-102625808-B Spirocyclic amide derivatives ASTRAZENECA AB 2014-08-27 CN disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
EP-2094646-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES AstraZeneca AB (SE) 2009-09-02 EP disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 WO disclosed
US-20080207698-A1 Novel Compounds 569 ASTRAZENECA AB (SE) 2008-08-28 US disclosed
WO-2008075025-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008075025-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008075026-A1 4-HYDR0XY-2-0X0-2, 3 -DIHYDRO- 1, 3-BENZOTHIAZOL- 7YL COMPOUNDS FOR MODULATION OF B2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
EP-1511745-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-11-15 EP disclosed
US-20050256100-A1 Protease inhibitors JEONG JAE U 2005-11-17 US disclosed
EP-1511745-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2005-03-09 EP disclosed
WO-2003097593-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-11-27 WO 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-20080207698-A1 Novel Compounds 569 RB1, CNKSR1, CDK9 KDM4E 826/4885ANPEP 4756/4885ERAP2 4336/4885
US-20160031838-A1 SMYD2 INHIBITORS SMYD2, SMYD3, NSD1 KDM4E 43/4885ANPEP 2731/4885ERAP2 2933/4885
US-20050256100-A1 Protease inhibitors SPINT2, PRSS1, ADAM17 KDM4E 693/4885ANPEP 49/4885ERAP2 89/4885

“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.