SCHEMBL16220615

SCHEMBL16220615

Bc1noc2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.45
NR1H2 P55055 2/20 0.44
USP2 O75604 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA1 P30542 2/20 0.42
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
MTOR P42345 1/20 0.38
HDAC4 P56524 1/20 0.38
C5AR1 P21730 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37

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
SCHEMBL16217172 0.85 ESR2 (0.43) ESR2NR1H2USP2SMN1; SMN2ADORA1
SCHEMBL10655954 0.85 ESR2 (0.46) ESR2NR1H2USP2SMN1; SMN2ADORA1
SCHEMBL16380131 0.84 ESR2 (0.42) ESR2NR1H2USP2SMN1; SMN2ADORA1
SCHEMBL22481977 0.83 USP2 (0.42) ESR2NR1H2USP2SMN1; SMN2ADORA1
SCHEMBL2576275 0.83 ADORA1 (0.46) ESR2NR1H2USP2SMN1; SMN2ADORA1
SCHEMBL20424276 0.82 HDAC4 (0.41) ESR2NR1H2USP2SMN1; SMN2ADORA1
SCHEMBL22621730 0.80 HSP90AA1 (0.43) ESR2NR1H2USP2SMN1; SMN2ADORA1
SCHEMBL16220618 0.80 MAPT (0.43) ESR2NR1H2USP2SMN1; SMN2ADORA1
SCHEMBL3441391 0.79 KMT2A (0.57) USP2SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL2582147 0.78 HSP90AA1 (0.58) ESR2NR1H2USP2SMN1; SMN2ADORA1

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-20140329820-A1 Triazine Derivatives PFIZER INC. (US) 2014-11-06 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-20140329820-A1 Triazine Derivatives PDE12, PDE5A, PDE10A ESR2 2152/4885NR1H2 869/4885USP2 1531/4885

“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.