SCHEMBL796181

SCHEMBL796181

CC(C)SC1CCN(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.33
HRH3 Q9Y5N1 3/20 0.32
KCNH2 Q12809 3/20 0.32
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESR1 P03372 1/20 0.30
CHRM1 P11229 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC29A1 Q99808 1/20 0.30
CPN1 P15169 1/20 0.30
CPB2 Q96IY4 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL1008489 0.77 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ALMNAHRH3
Isobutane SCHEMBL2578538 0.75 LMNA (0.52) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2206284 0.73 ALDH1A1 (0.33) ALDH1A1LMNACPN1CPB2ACHE
SCHEMBL20340605 0.72 ALDH1A1 (0.32) ALDH1A1CPN1CPB2
SCHEMBL12411234 0.72 CPN1 (0.40) ALDH1A1MEN1KMT2AHRH3KCNH2
SCHEMBL2772701 0.72 ALDH1A1 (0.36) ALDH1A1CPN1CPB2
SCHEMBL15476907 0.72 KCNH2 (0.35) ALDH1A1MEN1KMT2AHRH3KCNH2
SCHEMBL5993912 0.71 CPN1 (0.39) ALDH1A1MEN1KMT2AHRH3KCNH2
SCHEMBL5994169 0.71 CPN1 (0.39) ALDH1A1MEN1KMT2AHRH3KCNH2
SCHEMBL15140789 0.71 MEN1 (0.42) ALDH1A1MEN1KMT2AHRH3KCNH2

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
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
EP-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 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 (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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885MEN1 4842/4885KMT2A 3938/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ALDH1A1 439/4885MEN1 4842/4885KMT2A 3938/4885

“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.