SCHEMBL4025624

SCHEMBL4025624

COc1ccc(N)cc1OCC1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.54
CHEK2 O96017 1/20 0.51
PDE4B Q07343 6/20 0.50
ALOX5AP P20292 2/20 0.49
FEN1 P39748 2/20 0.49
BACE1 P56817 2/20 0.45
CTSD P07339 1/20 0.45
USP30 Q70CQ3 1/20 0.44
NR1H2 P55055 1/20 0.43
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
ACKR3 P25106 1/20 0.43
ACHE P22303 1/20 0.43
HTR4 Q13639 1/20 0.43

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
SCHEMBL19462318 0.94 PDE4B (0.52) SCN9ACHEK2PDE4BALOX5APFEN1
SCHEMBL19462274 0.94 PDE4B (0.52) SCN9ACHEK2PDE4BALOX5APFEN1
SCHEMBL13419707 0.89 SCN9A (0.62) SCN9ACHEK2PDE4BALOX5APFEN1
SCHEMBL16980718 0.89 SCN9A (0.62) SCN9ACHEK2ALOX5APFEN1BACE1
SCHEMBL27157955 0.86 SCN9A (0.55) SCN9ACHEK2PDE4BALOX5APFEN1
SCHEMBL4031568 0.84 SCN9A (0.51) SCN9ACHEK2PDE4BALOX5APFEN1
SCHEMBL21280426 0.84 PDE4B (0.46) SCN9APDE4BALOX5APFEN1NR1H2
SCHEMBL447381 0.82 RBP4 (0.53) SCN9ACHEK2PDE4BALOX5APFEN1
SCHEMBL5068253 0.81 SCN9A (0.54) SCN9ACHEK2PDE4BALOX5APFEN1
SCHEMBL5163390 0.81 SCN9A (0.54) SCN9ACHEK2PDE4BALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497265-B1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2009-02-18 EP disclosed
US-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy GLAXO GROUP LIMITED 2005-09-15 US disclosed
EP-1497265-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003089409-A1 COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-10-30 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-20050203079-A1 Compounds having affinity at 5ht2C receptor and use thereof in therapy HTR7, HTR2C, HTR3C SCN9A 125/4885CHEK2 2778/4885PDE4B 2910/4885

“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.