SCHEMBL31692003

SCHEMBL31692003

COc1ccnc(C(C)(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.42
LOX P28300 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
RXRA P19793 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
GAA P10253 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
SCHEMBL2625477 1.00 NUDT1 (0.42) NUDT1LOXLOXL2MTNR1AMTNR1B
SCHEMBL31691850 0.84 NUDT1 (0.40) NUDT1LOXLOXL2MTNR1AMTNR1B
SCHEMBL2650433 0.84 NUDT1 (0.40) NUDT1LOXLOXL2MTNR1AMTNR1B
SCHEMBL17117534 0.82 MALT1 (0.42) NUDT1LOXLOXL2MTNR1AMTNR1B
SCHEMBL22550724 0.82 NUDT1 (0.37) NUDT1ADORA2AADORA1GAA
SCHEMBL24714984 0.80 NUDT1 (0.43) NUDT1ADORA2AADORA1
SCHEMBL22624172 0.78 NUDT1 (0.39) NUDT1LOXLOXL2MTNR1AMTNR1B
SCHEMBL24759681 0.77 MTNR1A (0.42) NUDT1MTNR1AMTNR1BPOLBTDP1
SCHEMBL24759324 0.77 NUDT1 (0.41) NUDT1LOXLOXL2MTNR1AMTNR1B
SCHEMBL29159093 0.76 SMN1; SMN2 (0.35) NUDT1MTNR1AMTNR1BADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304577-A1 TYK2 INHIBITORS BIOGEN MA INC. 2025-10-02 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 (1 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-20250304577-A1 TYK2 INHIBITORS TYK2, JAK2, JAK1 NUDT1 4220/4885LOX 899/4885LOXL2 712/4885

“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.