SCHEMBL14800656

SCHEMBL14800656

C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.59
PDE4B Q07343 2/20 0.45
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAMPT P43490 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
USP30 Q70CQ3 1/20 0.38
RECQL P46063 1/20 0.38
EPHX1 P07099 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
RORC P51449 1/20 0.36
EPHX2 P34913 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
SCHEMBL13177350 1.00 NR1H2 (0.59) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL29128147 1.00 NR1H2 (0.59) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL14800658 1.00 NR1H2 (0.59) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL30721755 0.91 NR1H2 (0.65) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL2937360 0.91 NR1H2 (0.65) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL1014216 0.91 NR1H2 (0.65) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL2930155 0.91 NR1H2 (0.65) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL24421402 0.88 NR1H2 (0.51) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL12683334 0.88 NR1H2 (0.53) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL21603201 0.88 NR1H2 (0.53) NR1H2PDE4BUSP2SMN1; SMN2NAMPT

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-3536685-B1 BICYCLIC-FUSED HETEROARYL OR ARYL COMPOUNDS AND THEIR USE AS IRAK4 INHIBITORS PFIZER (US) 2022-02-16 EP disclosed
EP-2758402-B9 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-09-14 EP disclosed
EP-2758402-B1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-04-27 EP disclosed
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2015-07-23 US disclosed
US-9040547-B2 Pyrrolopyrimidine and purine derivatives PFIZER INC. (US) 2015-05-26 US disclosed
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. 2013-03-28 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 (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-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS NR1H2 4568/4885PDE4B 814/4885USP2 4431/4885
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS NR1H2 4568/4885PDE4B 814/4885USP2 4431/4885

“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.