SCHEMBL6336428

SCHEMBL6336428

CCC(=O)C(C)CN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.45
RORC P51449 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR2 P34972 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
SCHEMBL6211129 0.94 HPGD (0.47) HPGDMEN1KMT2ALMNARORC
SCHEMBL6211134 0.82 HPGD (0.39) HPGDMEN1KMT2ALMNARORC
SCHEMBL11240083 0.80 HPGD (0.47) HPGDMEN1KMT2ALMNANPC1
SCHEMBL15688853 0.79 HPGD (0.46) HPGDMEN1KMT2ALMNARORC
SCHEMBL19047046 0.78 ALDH1A1 (0.50) HPGDMEN1KMT2ALMNAL3MBTL1
SCHEMBL13545160 0.77 HPGD (0.54) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL31112245 0.77 HPGD (0.54) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL7299716 0.75 AKT1 (0.49) HPGDMEN1KMT2ALMNAL3MBTL1
SCHEMBL25170278 0.75 CYP1A2 (0.53) MEN1KMT2ALMNAL3MBTL1NPC1
SCHEMBL9131611 0.75 MEN1 (0.47) HPGDMEN1KMT2ALMNARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050137145-A1 Metabolites of 1-dimethylamino-3-(3-methoxy-phenyl)-2-methyl-pentan-3-ol and their use in the treatment of urinary incontinence GRUENENTHAL GMBH (DE) 2005-06-23 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-20050137145-A1 Metabolites of 1-dimethylamino-3-(3-methoxy-phenyl)-2-methyl-pentan-3-ol and their use in the treatment of urinary incontinence PNMT, HNMT, PDE3A HPGD 30/4885MEN1 3187/4885KMT2A 1655/4885

“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.