SCHEMBL1246790

SCHEMBL1246790

COC(CNC1CCCC1)OC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ANPEP P15144 2/20 0.40
ERAP2 Q6P179 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR1A P08908 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL1246086 0.98 KDM4E (0.54) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL1246156 0.98 KDM4E (0.54) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL2698028 0.98 KDM4E (0.54) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL27036944 0.91 MEN1 (0.42) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL12801234 0.83 MEN1 (0.38) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL9909550 0.78 KDM4E (0.52) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL3552579 0.78 KDM4E (0.52) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL12800405 0.78 MEN1 (0.33) KDM4EMEN1KMT2A
SCHEMBL934315 0.77 KDM4E (0.50) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL172662 0.75 KDM4E (0.58) 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109195975-B Diazaspiro [5.5] undecane derivative and application thereof 四川海思科制药有限公司 2022-01-04 CN disclosed
CN-107849008-B Octahydrocyclopenta [ c ] pyrrole derivative, preparation method and medical application thereof 四川海思科制药有限公司 2021-04-09 CN disclosed
EP-2459572-B1 SPIROCYCLIC AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2018-09-12 EP disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO disclosed
US-20100105642-A1 NOVEL COMPOUNDS 409 ASTRAZENECA AB (SE) 2010-04-29 US disclosed
US-20100105642-A1 NOVEL COMPOUNDS 409 ASTRAZENECA AB (SE) 2010-04-29 US disclosed
US-20100105642-A1 NOVEL COMPOUNDS 409 ASTRAZENECA AB (SE) 2010-04-29 US disclosed
WO-2009154557-A1 BENZOXAZINONE DERIVATIVES ACTING AS BETA2-ADRENORECEPTOR AGONIST FOR THE TREATMENT OF RESPIRATORY DISORDERS ASTRAZENECA AB (SE) 2009-12-23 WO disclosed
WO-2009154557-A1 BENZOXAZINONE DERIVATIVES ACTING AS BETA2-ADRENORECEPTOR AGONIST FOR THE TREATMENT OF RESPIRATORY DISORDERS ASTRAZENECA AB (SE) 2009-12-23 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-20100105642-A1 NOVEL COMPOUNDS 409 GPR119, CYP4B1, CYP4A11 KDM4E 779/4885ANPEP 3699/4885ERAP2 3590/4885
US-20130018037-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 KDM4E 3165/4885ANPEP 2086/4885ERAP2 3128/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 KDM4E 3165/4885ANPEP 2086/4885ERAP2 3128/4885

“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.