SCHEMBL14801588

SCHEMBL14801588

COCC1CN(C(=O)OC(C)(C)C)CC1CO

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.55
PDE4B Q07343 3/20 0.47
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.35
EPHX1 P07099 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
RORC P51449 1/20 0.34

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
SCHEMBL14800638 1.00 NR1H2 (0.55) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL14805513 1.00 NR1H2 (0.55) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL2937360 0.90 NR1H2 (0.65) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL30721755 0.90 NR1H2 (0.65) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL1014216 0.90 NR1H2 (0.65) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL2930155 0.90 NR1H2 (0.65) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL30456513 0.86 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL30835821 0.85 NR1H2 (0.59) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL19123143 0.85 NR1H2 (0.59) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL19385238 0.85 NR1H2 (0.59) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.