SCHEMBL16615993

SCHEMBL16615993

O=C(CCc1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)CNC2

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.61
ATXN2 Q99700 3/20 0.61
EPHX2 P34913 4/20 0.54
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
HRH3 Q9Y5N1 3/20 0.47
GPBAR1 Q8TDU6 4/20 0.47
CDK8 P49336 1/20 0.47
NTRK3 Q16288 1/20 0.47
KCNH2 Q12809 1/20 0.45
FKBP1A P62942 1/20 0.44
PANK3 Q9H999 1/20 0.43

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
SCHEMBL25234685 0.85 ENPP2 (0.58) ENPP2ATXN2EPHX2MEN1ALDH1A1
SCHEMBL25234683 0.85 ENPP2 (0.58) ENPP2ATXN2EPHX2MEN1ALDH1A1
SCHEMBL25577610 0.84 ENPP2 (0.57) ENPP2ATXN2EPHX2MEN1ALDH1A1
SCHEMBL13068970 0.84 ENPP2 (0.53) ENPP2ATXN2EPHX2HRH3GPBAR1
SCHEMBL12836705 0.82 NPC1 (0.59) ENPP2ATXN2EPHX2MEN1ALDH1A1
SCHEMBL15540071 0.81 ENPP2 (0.61) ENPP2ATXN2
SCHEMBL12895459 0.81 NPC1 (0.57) ENPP2ATXN2EPHX2MEN1ALDH1A1
SCHEMBL20669409 0.80 NPC1 (0.63) EPHX2MEN1ALDH1A1KMT2AFKBP1A
SCHEMBL17761198 0.77 ALDH1A1 (0.59) ENPP2ATXN2EPHX2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL17363099 0.75 KDM4E (0.46) ENPP2ATXN2KMT2AHRH3GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200207769-A1 DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2020-07-02 US disclosed
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHE INC. (US) 2020-04-28 US disclosed
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2017-02-02 US disclosed
EP-2861566-B1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN LA ROCHE (CH) 2016-12-21 EP disclosed
US-9493486-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHES INC. (US) 2016-11-15 US disclosed
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2015-04-09 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 (4 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-20200207769-A1 DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 ENPP2 1/4885ATXN2 500/4885EPHX2 2939/4885
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 ENPP2 1/4885ATXN2 280/4885EPHX2 3281/4885
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane ENPP2, DAPK1, DAPK2 ENPP2 1/4885ATXN2 500/4885EPHX2 2939/4885
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE DAPK2, DAPK1, IDH3A ENPP2 548/4885ATXN2 1079/4885EPHX2 2110/4885

“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.