SCHEMBL975058

SCHEMBL975058

CCC(O)(NC)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.48
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C19 P33261 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2D6 P10635 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HDAC1 Q13547 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL30553574 1.00 KCNN4 (0.48) KCNN4LMNAHTTL3MBTL1CYP2C19
SCHEMBL30553493 1.00 KCNN4 (0.48) KCNN4LMNAHTTL3MBTL1CYP2C19
Hydrochloric Acid SCHEMBL3830549 0.98 KCNN4 (0.46) KCNN4LMNAHTTL3MBTL1CYP2C19
SCHEMBL6287223 0.83 KCNN4 (0.48) KCNN4LMNAHTTL3MBTL1CYP2C19
SCHEMBL9879385 0.79 KCNN4 (0.41) KCNN4LMNAHTTL3MBTL1CYP2C19
SCHEMBL27821193 0.79 RAB9A (0.38) CYP2C19KMT2AALDH1A1
SCHEMBL14786288 0.78 KCNN4 (0.43) KCNN4LMNAHTTL3MBTL1CYP2C19
SCHEMBL10535008 0.78 KDM4E (0.42) KCNN4LMNAHTTL3MBTL1CYP2C19
SCHEMBL28685723 0.76 NAPRT (0.44) KCNN4LMNAHTTL3MBTL1CYP2C19
SCHEMBL29393902 0.76 NAPRT (0.44) KCNN4LMNAHTTL3MBTL1CYP2C19

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114058655-B Method for synthesizing (R) -acetamido phenylpropanol by enzyme-chemical one-pot method 青岛科技大学 2023-08-29 CN disclosed
CN-110297043-A A kind of analysis method of 2- methylamino -1- phenyl-1-propanol 上海医药工业研究院 2019-10-01 CN disclosed
CN-107630049-B The biological preparation method of ephedrine 武汉茵茂特生物技术有限公司 2018-09-21 CN disclosed
CN-107630049-A The biological preparation method of ephedrine 武汉茵茂特生物技术有限公司 2018-01-26 CN disclosed
WO-2014159251-A2 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2014-10-02 WO disclosed
US-8664195-B2 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2014-03-04 US disclosed
US-20120093729-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2012-04-19 US disclosed
US-8080536-B2 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2011-12-20 US disclosed
US-20110009356-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2011-01-13 US disclosed
US-7816345-B2 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2010-10-19 US disclosed
EP-1724276-A1 Novel phosphorus-containing prodrugs Metabasis Therapeutics, Inc. (US) 2006-11-22 EP disclosed
EP-1704138-A1 PROCESSES FOR THE PREPARATION OF TOMOXETINE Teva Pharmaceutical Fine Chemicals S.R.L. (IT) 2006-09-27 EP disclosed
EP-1165570-B1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS INC (US) 2006-08-23 EP disclosed
WO-2006068662-A1 PROCESSES FOR THE PREPARATION OF TOMOXETINE TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2006-06-29 WO disclosed
EP-1634886-A2 Novel phosphorus-containing prodrug Metabasis Therapeutics, Inc. (US) 2006-03-15 EP disclosed
EP-1165570-A2 NOVEL PHOSPHORUS-CONTAINING PRODRUGS Metabasis Therapeutics, Inc. (US) 2002-01-02 EP disclosed
WO-2000052015-A2 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2000-09-08 WO disclosed
US-5225585-A Antidepressants TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1993-07-06 US disclosed
EP-0529842-A2 Production of fluoxetine and new intermediates TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1993-03-03 EP disclosed
US-4041174-A INJECTING AN ESTER LOCAL ANESTHETIC ROM-AMER PHARMACEUTICALS, LTD. (US) 1977-08-09 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-20110009356-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS PYGL, ALPI, SLC10A1 KCNN4 1064/4885LMNA 3305/4885HTT 4792/4885
US-20120093729-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS PYGL, ALPI, SLC10A1 KCNN4 1064/4885LMNA 3305/4885HTT 4792/4885

“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.