SCHEMBL2345774

SCHEMBL2345774

CC(C)(O)[C@H]1CC[C@@H](c2ccc(F)c(F)c2)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
KDM1A O60341 2/20 0.34
MAOB P27338 1/20 0.34
CHRNB2 P17787 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
PRKCZ Q05513 1/20 0.33
KCNH2 Q12809 1/20 0.32
SCN3A Q9NY46 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
GRIA4 P48058 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL2352207 0.83 KCNH2 (0.43) HTR2AHTR2CHTR2BKCNH2SCN3A
SCHEMBL19803454 0.81 RIPK1 (0.41) HTR2AHTR2CHTR2BKDM1AKCNH2
SCHEMBL22451655 0.81 RIPK1 (0.41) HTR2AHTR2CHTR2BKDM1AKCNH2
SCHEMBL20843428 0.81 RIPK1 (0.41) HTR2AHTR2CHTR2BKDM1AKCNH2
SCHEMBL19803481 0.80 RIPK1 (0.33) CHRM3
SCHEMBL22451451 0.80 RIPK1 (0.33) CHRM3
Hydrochloric Acid SCHEMBL20835489 0.79 RIPK1 (0.40) HTR2AHTR2CHTR2BKDM1AKCNH2
SCHEMBL22451681 0.78 SLC6A3 (0.39) HTR2AHTR2CHTR2BKDM1ASLC6A2
SCHEMBL20843399 0.78 SLC6A3 (0.39) HTR2AHTR2CHTR2BKDM1ASLC6A2
SCHEMBL19803451 0.78 SLC6A3 (0.39) HTR2AHTR2CHTR2BKDM1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125829-B1 BICYCLIC OXOMORPHOLINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2013-01-16 EP disclosed
US-8008293-B2 Bicyclic oxomorpholine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-30 US disclosed
US-20100113773-A1 BICYCLIC OXOMORPHOLINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-05-06 US disclosed
US-20080207900-A1 TWO CYCLIC OXOMORPHORIN DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-28 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 (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-20080207900-A1 TWO CYCLIC OXOMORPHORIN DERIVATIVES OPRM1, OPRK1, OPRD1 HTR2A 474/4885HTR2C 181/4885HTR2B 403/4885
US-20100113773-A1 BICYCLIC OXOMORPHOLINE DERIVATIVE OPRM1, OPRK1, OPRD1 HTR2A 200/4885HTR2C 65/4885HTR2B 289/4885

“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.