SCHEMBL4873791

SCHEMBL4873791

CC(C)c1ccc(C2CCC[C@H](c3ccc(C(C)C)cc3)N2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TYR P14679 1/20 0.38
LMNA P02545 2/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL4909942 1.00 HPGD (0.47) HPGDALDH1A1POLBGAASLC6A2
SCHEMBL4873782 1.00 HPGD (0.47) HPGDALDH1A1POLBGAASLC6A2
SCHEMBL10141182 0.92 HPGD (0.46) HPGDALDH1A1POLBGAASLC6A2
SCHEMBL10147111 0.85 HPGD (0.41) HPGDALDH1A1TDP1TNKSTNKS2
SCHEMBL16984372 0.81 MKNK1 (0.48) HPGDPOLBSLC6A2SLC6A4SLC6A3
SCHEMBL16984353 0.79 SLC6A2 (0.53) HPGDPOLBSLC6A2SLC6A4SLC6A3
SCHEMBL22918217 0.78 HPGD (0.44) HPGDALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL4870454 0.77 MAPT (0.39) TDP1NPSR1
SCHEMBL4871362 0.77 MAPT (0.39) TDP1NPSR1
Hydrochloric Acid SCHEMBL4912494 0.75 MAPT (0.38) NPSR1

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-7423059-B2 Pharmaceutically active compounds and methods of use WYETH (US) 2008-09-09 US disclosed
US-20050209222-A1 Pharmaceutically active compounds and methods of use CAMBRIDGE NEUROSCIENCE, INC. 2005-09-22 US disclosed
US-6756389-B2 CENTRAL NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. 2004-06-29 US disclosed
US-20030069274-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH 2003-04-10 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 (2 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-20050209222-A1 Pharmaceutically active compounds and methods of use ACHE, NLN, PARK7 HPGD 130/4885ALDH1A1 434/4885POLB 1603/4885
US-20030069274-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE ACHE, NLN, PARK7 HPGD 130/4885ALDH1A1 434/4885POLB 1603/4885

“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.