SCHEMBL4880504

SCHEMBL4880504

CC(C)(C)OC(=O)N1CCc2ccc(O)c([N+](=O)[O-])c2CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.53
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
NR1H2 P55055 1/20 0.49
KCNH2 Q12809 1/20 0.41
ADORA1 P30542 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
P2RX3 P56373 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 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
SCHEMBL4882405 0.83 ESR2 (0.53) ESR2MAPTALDH1A1LMNANR1H2
SCHEMBL2131466 0.81 ESR2 (0.55) ESR2MAPTALDH1A1LMNANR1H2
SCHEMBL3601094 0.81 ESR2 (0.53) ESR2MAPTALDH1A1LMNANR1H2
SCHEMBL4871982 0.80 NR1H2 (0.56) ESR2MAPTALDH1A1LMNANR1H2
SCHEMBL17462503 0.80 ESR2 (0.54) ESR2MAPTALDH1A1LMNANR1H2
SCHEMBL13037519 0.80 ESR2 (0.55) ESR2MAPTALDH1A1LMNANR1H2
SCHEMBL3600122 0.80 ESR2 (0.52) ESR2MAPTALDH1A1LMNANR1H2
SCHEMBL3607315 0.80 ESR2 (0.52) ESR2MAPTALDH1A1LMNANR1H2
SCHEMBL6096546 0.80 ALDH1A1 (0.53) ESR2MAPTALDH1A1LMNANR1H2
SCHEMBL3597423 0.77 ESR2 (0.49) ESR2MAPTALDH1A1LMNANR1H2

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
US-20080269195-A1 Compounds Having Affinity For the Dopamine D3 Receptor and Uses Thereof in Medicine GLAXO GROUP LIMITED (GB) 2008-10-30 US disclosed
US-20080269195-A1 Compounds Having Affinity For the Dopamine D3 Receptor and Uses Thereof in Medicine GLAXO GROUP LIMITED (GB) 2008-10-30 US disclosed
US-20080269195-A1 Compounds Having Affinity For the Dopamine D3 Receptor and Uses Thereof in Medicine GLAXO GROUP LIMITED (GB) 2008-10-30 US disclosed
EP-1773844-A1 COMPOUNDS HAVING AFFINITY FOR THE DOPAMINE D3 RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-18 EP disclosed
WO-2006002928-A1 COMPOUNDS HAVING AFFINITY FOR THE DOPAMINE D3 RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2006-01-12 WO 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-20080269195-A1 Compounds Having Affinity For the Dopamine D3 Receptor and Uses Thereof in Medicine DRD3, SLC6A3, DRD2 ESR2 1839/4885MAPT 2695/4885ALDH1A1 1007/4885

“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.