SCHEMBL6334900

SCHEMBL6334900

CCC(=O)C(C)C(C)NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ACP3 P15309 3/20 0.41
▸ RIPK1 Q13546 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HPGD P15428 1/20 0.40

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
SCHEMBL7496252 0.84 ALDH1A1 (0.53) SIGMAR1KMT2AALDH1A1MAPTMEN1
SCHEMBL8220982 0.83 SIGMAR1 (0.50) SIGMAR1KMT2AALDH1A1MAPTMEN1
SCHEMBL20640584 0.81 SMN1; SMN2 (0.50) SIGMAR1KMT2AALDH1A1MAPTMEN1
SCHEMBL26640075 0.75 SIGMAR1 (0.49) SIGMAR1KMT2AALDH1A1MAPTMEN1
SCHEMBL26640069 0.75 SIGMAR1 (0.49) SIGMAR1KMT2AALDH1A1MAPTMEN1
SCHEMBL10891463 0.75 SLC1A3 (0.50) SIGMAR1KMT2AALDH1A1MAPTMEN1
SCHEMBL17925943 0.74 SIGMAR1 (0.57) SIGMAR1KMT2AALDH1A1MAPTMEN1
SCHEMBL2472408 0.74 SIGMAR1 (0.57) SIGMAR1KMT2AALDH1A1MAPTMEN1
SCHEMBL19069296 0.74 SIGMAR1 (0.61) SIGMAR1KMT2AALDH1A1MAPTMEN1
SCHEMBL10284202 0.74 SIGMAR1 (0.61) SIGMAR1KMT2AALDH1A1MAPTMEN1

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 SIGMAR1 1539/4885KMT2A 1655/4885ALDH1A1 46/4885

“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.

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