SCHEMBL5776971

SCHEMBL5776971

CN(C)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.50
MAPK1 P28482 1/20 0.49
NR1H2 P55055 1/20 0.49
UCHL1 P09936 1/20 0.48
SCN9A Q15858 1/20 0.46
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
ABHD6 Q9BV23 3/20 0.44
GPR119 Q8TDV5 1/20 0.43
NAMPT P43490 3/20 0.43
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
MAPT P10636 1/20 0.42
KDM1A O60341 1/20 0.41
ADORA1 P30542 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
LIPG Q9Y5X9 1/20 0.41

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
SCHEMBL15104421 0.89 DDB1 (0.50) ESR2MAPK1NR1H2UCHL1DDB1
SCHEMBL10289745 0.89 ESR2 (0.53) ESR2MAPK1NR1H2UCHL1SCN9A
SCHEMBL5774734 0.88 UCHL1 (0.53) ESR2MAPK1NR1H2UCHL1SCN9A
SCHEMBL29554603 0.88 UCHL1 (0.53) ESR2MAPK1NR1H2UCHL1SCN9A
SCHEMBL17687053 0.87 NR1H2 (0.53) ESR2MAPK1NR1H2UCHL1SCN9A
SCHEMBL22530017 0.87 ESR2 (0.51) ESR2MAPK1NR1H2UCHL1SCN9A
SCHEMBL5778372 0.87 ESR2 (0.51) ESR2MAPK1NR1H2UCHL1SCN9A
SCHEMBL29421814 0.87 ESR2 (0.51) ESR2MAPK1NR1H2UCHL1SCN9A
SCHEMBL30606082 0.87 NR1H2 (0.53) ESR2MAPK1NR1H2UCHL1SCN9A
SCHEMBL22366367 0.84 ESR2 (0.51) ESR2MAPK1NR1H2UCHL1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 ESR2 363/4885MAPK1 2336/4885NR1H2 51/4885

“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.