SCHEMBL4468024

SCHEMBL4468024

O=C(O)c1ccc(COC2CCNCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.52
SLC6A4 P31645 4/20 0.52
SLC6A3 Q01959 4/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR7 P34969 1/20 0.52
HTR2B P41595 1/20 0.52
HTR3A P46098 1/20 0.52
HTR4 Q13639 1/20 0.52
KCNH2 Q12809 3/20 0.43
ALDH1A1 P00352 2/20 0.43
RXRA P19793 4/20 0.42
RXRB P28702 4/20 0.42
RXRG P48443 1/20 0.42
NR4A2 P43354 3/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR4A1 P22736 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
SCHEMBL927089 0.89 ALDH1A1 (0.49) ALDH1A1RXRARXRBRXRGNR4A2
SCHEMBL12735877 0.86 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL1749785 0.85 KMT2A (0.51) ALDH1A1RXRARXRBRXRGNR4A2
SCHEMBL1750107 0.85 KMT2A (0.47) ALDH1A1RXRARXRBRXRGNR4A2
SCHEMBL1750552 0.84 KMT2A (0.54) ALDH1A1RXRARXRBRXRGNR4A2
SCHEMBL13267207 0.84 RXRA (0.48) ALDH1A1RXRARXRBRXRGNR4A2
Benzoic Acid SCHEMBL2174010 0.82 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
Benzoic Acid SCHEMBL2174016 0.82 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
Oxalic Acid SCHEMBL4471151 0.82 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL27691003 0.81 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3HTR2AHTR2C

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
US-7494992-B2 Antiparasitic terpene alkaloids PFIZER INC. (US) 2009-02-24 US disclosed
US-20070185101-A1 Antiparasitic terpene alkaloids PFIZER PRODUCTS INC 2007-08-09 US disclosed
EP-1597264-A2 ANTIPARASITIC TERPENE ALKALOIDS Pfizer Limited (GB) 2005-11-23 EP disclosed
WO-2004072086-A2 ANTIPARASITIC TERPENE ALKALOIDS PFIZER LIMITED (GB) 2004-08-26 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-20070185101-A1 Antiparasitic terpene alkaloids CYP51A1, DHPS, CYP8B1 SLC6A2 1939/4885SLC6A4 2221/4885SLC6A3 1580/4885

“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.