SCHEMBL14701441

SCHEMBL14701441

[2H]C([2H])([2H])C1(C(=O)OCC)CCN(C(=O)OC(C)(C)C)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.40
MAPK1 P28482 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
CYP11B2 P19099 1/20 0.35
ESR2 Q92731 1/20 0.34
USP30 Q70CQ3 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR1H2 P55055 2/20 0.34
OPRM1 P35372 2/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33
TACR1 P25103 1/20 0.33

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
SCHEMBL13047175 0.91 ADORA1 (0.42) ADORA1MAPK1DDB1CRBNALOX15
SCHEMBL5509672 0.81 NR1H2 (0.41) ADORA1DDB1CRBNALOX15ESR2
SCHEMBL2381764 0.81 ADORA1 (0.42) ADORA1MAPK1DDB1CRBNALOX15
SCHEMBL24509713 0.81 ADORA1 (0.42) ADORA1MAPK1DDB1CRBNALOX15
SCHEMBL2377172 0.81 DDB1 (0.42) ADORA1DDB1CRBNALOX15TSHR
SCHEMBL27976600 0.79 ADORA1 (0.40) ADORA1MAPK1DDB1CRBNALOX15
SCHEMBL27774132 0.77 USP2 (0.41) ADORA1MAPK1ALOX15TSHRCYP11B2
SCHEMBL5767328 0.76 ADORA1 (0.39) ADORA1MAPK1DDB1CRBNALOX15
SCHEMBL28490994 0.74 GPR119 (0.42) MAPK1OPRD1OPRK1CYP11B2
SCHEMBL29450194 0.74 ADORA1 (0.42) ADORA1DDB1CRBNALOX15CYP11B2

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-20130040974-A1 PIPERIDINE INHIBITORS OF JANUS KINASE 3 AUSPEX PHARMACEUTICALS, INC. (US) 2013-02-14 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-20130040974-A1 PIPERIDINE INHIBITORS OF JANUS KINASE 3 JAK2, JAK3, PAK3 ADORA1 3506/4885MAPK1 316/4885DDB1 4026/4885

“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.