SCHEMBL16616295

SCHEMBL16616295

O=S(=O)(CCc1cccc(Cl)c1)N1CCC2(CC1)CNC2

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.58
ATXN2 Q99700 1/20 0.58
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
DAO P14920 2/20 0.38
TAAR1 Q96RJ0 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 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
SCHEMBL2841869 0.80 ENPP2 (0.49) ENPP2ATXN2LMNAKDM4EALDH1A1
SCHEMBL16963365 0.76 ENPP2 (0.44) ENPP2ATXN2LMNAKDM4EALDH1A1
SCHEMBL15554682 0.72 ENPP2 (0.79) ENPP2ATXN2
Hydrochloric Acid SCHEMBL16616349 0.69 ENPP2 (0.61) ENPP2ATXN2CHRM2CHRM3
SCHEMBL17310770 0.68 ENPP2 (0.46) ENPP2ATXN2KDM4EALDH1A1TAAR1
SCHEMBL3257448 0.67 TAAR1 (0.55) ALDH1A1CHRM2CHRM3DAOTAAR1
SCHEMBL3255075 0.67 TAAR1 (0.55) ALDH1A1CHRM2CHRM3TAAR1MEN1
SCHEMBL24694240 0.67 TSHR (0.38) LMNAKDM4EALDH1A1MAPTCYP2C9
SCHEMBL4878820 0.66 TAAR1 (0.58) CHRM2CHRM3TAAR1
SCHEMBL9558772 0.66 TAAR1 (0.53) ALDH1A1CHRM2CHRM3DAOTAAR1

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 500/4885LMNA 1671/4885
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 ENPP2 1/4885ATXN2 280/4885LMNA 2130/4885
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane ENPP2, DAPK1, DAPK2 ENPP2 1/4885ATXN2 500/4885LMNA 1671/4885
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE DAPK2, DAPK1, IDH3A ENPP2 548/4885ATXN2 1079/4885LMNA 3164/4885

“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.