SCHEMBL3465229

SCHEMBL3465229

CC(C)(C)C(OC(N)=O)[C@H]1CNCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.36
SLC6A4 P31645 11/20 0.36
SLC6A3 Q01959 6/20 0.35
SSTR4 P31391 2/20 0.35
REN P00797 1/20 0.31
MLNR O43193 1/20 0.31
ADRB2 P07550 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2C P28335 1/20 0.31
OPRK1 P41145 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL28345897 0.77 ATM (0.32)
SCHEMBL28345899 0.77 ATM (0.32)
SCHEMBL14830518 0.77 ATM (0.32)
SCHEMBL3630902 0.74 LMNA (0.32) SLC6A4SLC6A3
SCHEMBL19063653 0.74 KDM4E (0.33) SLC6A2SLC6A4SLC6A3KDM4ECYP2D6
Hydrochloric Acid SCHEMBL31255580 0.73 LMNA (0.32) SLC6A4SLC6A3
SCHEMBL9398208 0.71 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3SSTR4REN
SCHEMBL28302159 0.71 SSTR4 (0.37) SLC6A2SLC6A4SLC6A3SSTR4
SCHEMBL10505054 0.71 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3SSTR4KDM4E
SCHEMBL25371901 0.71 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3SSTR4MLNR

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
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 US disclosed
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 US disclosed
EP-2167196-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS Glaxo Group Limited (GB) 2010-03-31 EP disclosed
WO-2009000745-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-12-31 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-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 SLC6A2 4632/4885SLC6A4 4534/4885SLC6A3 4556/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X SLC6A2 4447/4885SLC6A4 2236/4885SLC6A3 4270/4885

“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.