SCHEMBL3545975

SCHEMBL3545975

CC(C)(C)CC(=O)Nc1ccc2c(c1)CCCN2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.50
TRPV1 Q8NER1 1/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 3/20 0.46
RAB9A P51151 4/20 0.45
AAK1 Q2M2I8 1/20 0.44
PIR O00625 1/20 0.44
GSK3B P49841 1/20 0.44
HSF1 Q00613 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 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
Hydrochloric Acid SCHEMBL3548106 0.99 PLAU (0.49) PLAUTRPV1MAPTKDM4EHPGD
SCHEMBL5803358 0.92 HPGD (0.49) PLAUMAPTHPGDMEN1KMT2A
SCHEMBL6421787 0.83 RAB9A (0.52) PLAUMAPTKDM4EHPGDMEN1
SCHEMBL30464664 0.81 PLAU (0.56) PLAUTRPV1MAPTKDM4EGAA
SCHEMBL5053574 0.81 PLAU (0.56) PLAUTRPV1MAPTKDM4EGAA
SCHEMBL257597 0.80 PLAU (0.50) PLAUTRPV1MAPTKDM4EGAA
SCHEMBL691153 0.79 MAPT (0.60) PLAUTRPV1MAPTKDM4EMEN1
SCHEMBL6981447 0.79 NPC1 (0.68) PLAUMAPTKDM4EHPGDMEN1
SCHEMBL6844828 0.77 PLAU (0.53) PLAUTRPV1MAPTKDM4EGAA
SCHEMBL7903033 0.77 RAB9A (0.57) PLAUMAPTKDM4EHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662831-B2 Tetracyclic indoles as potassium channel modulators WYETH LLC (US) 2010-02-16 US disclosed
US-7662831-B2 Tetracyclic indoles as potassium channel modulators WYETH LLC (US) 2010-02-16 US disclosed
US-7662831-B2 Tetracyclic indoles as potassium channel modulators WYETH LLC (US) 2010-02-16 US disclosed
US-20080027090-A1 TETRACYCLIC INDOLES AS POTASSIUM CHANNEL MODULATORS WYETH (US) 2008-01-31 US disclosed
US-20080027090-A1 TETRACYCLIC INDOLES AS POTASSIUM CHANNEL MODULATORS WYETH (US) 2008-01-31 US disclosed
US-20080027090-A1 TETRACYCLIC INDOLES AS POTASSIUM CHANNEL MODULATORS WYETH (US) 2008-01-31 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-20080027090-A1 TETRACYCLIC INDOLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNA5, KCNK5 PLAU 4371/4885TRPV1 66/4885MAPT 1588/4885

“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.