Isopropamide

Isopropamide

SCHEMBL3082703

CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C.CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C.[LiH]

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRM1CHRM3

The experimentally established mechanism targets of Isopropamide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 known ✓ P20309 7/20 0.97
CHRM1 known ✓ P11229 1/20 0.97
CHRM2 P08172 4/20 0.97
KCNH2 Q12809 3/20 0.97
CYP2D6 P10635 2/20 0.97
LMNA P02545 1/20 0.97
KDM4E B2RXH2 1/20 0.94
CTDSP1 Q9GZU7 1/20 0.94
OPRK1 P41145 2/20 0.44
SLC22A2 O15244 1/20 0.44
SLC22A1 O15245 1/20 0.44
PGR P06401 1/20 0.44
THRB P10828 1/20 0.44
ADRB3 P13945 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
PDE3A Q14432 1/20 0.44
SLC47A1 Q96FL8 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44

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
Isopropamide SCHEMBL100256 0.98 CHRM3 (1.00) CHRM3CHRM2KCNH2CYP2D6LMNA
Isopropamide SCHEMBL100255 0.97 KDM4E (1.00) CHRM3CHRM2KCNH2CYP2D6LMNA
Isopropamide SCHEMBL14672609 0.96 CHRM3 (0.94) CHRM3CHRM2KCNH2CYP2D6LMNA
Isopropamide SCHEMBL7796559 0.91 CHRM3 (0.85) CHRM3CHRM2KCNH2CYP2D6LMNA
SCHEMBL4538265 0.88 CHRM3 (0.80) CHRM3CHRM2KCNH2CYP2D6LMNA
Isopropamide SCHEMBL17923572 0.86 KDM4E (0.79) CHRM3CHRM2KCNH2CYP2D6LMNA
Ambutonium SCHEMBL11946672 0.79 CHRM3 (0.67) CHRM3CHRM2KCNH2CYP2D6LMNA
Ambutonium SCHEMBL249674 0.78 CHRM3 (0.65) CHRM3CHRM2KCNH2CYP2D6LMNA
SCHEMBL25341236 0.76 CHRM3 (0.63) CHRM3CHRM2KCNH2CYP2D6LMNA
Hydrochloric Acid SCHEMBL30307081 0.75 CHRM3 (0.61) CHRM3CHRM2KCNH2CYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163409-A1 ALTERNATE PROCESSES FOR THE PREPARATION OF PYRROLIDINE DERIVATIVES Dr Reddys Laboratories Ltd (IN) 2021-06-03 US disclosed
WO-2019016745-A1 ALTERNATE PROCESSES FOR THE PREPARATION OF PYRROLIDINE DERIVATIVES DR. REDDY'S LABORATORIES LIMITED (IN) 2019-01-24 WO disclosed
EP-1732895-B1 INSECTICIDAL N-SUBSTITUTED SULFOXIMINES DOW AGROSCIENCES LLC (US) 2016-11-16 EP disclosed
CN-1942442-B Insecticidal N-substituted sulfenimides DOW AGROSCIENCES LLC 2012-10-31 CN disclosed
CN-101648906-B Insecticidal N-substituted sulfoximines DOW AGROSCIENCES LLC 2012-07-11 CN disclosed
US-7897782-B2 [3-(6-Chloropyridin-3-yl)-2-methylpropyl](methyl)oxido- lambda 4-sulfanylidenecyanamide; aphidicides DOW AGROSCIENCES LLC (US) 2011-03-01 US disclosed
US-7834188-B2 Insecticidal N-substituted sulfoximines DOW AGROSCIENCES LLC (US) 2010-11-16 US disclosed
US-7829719-B2 Insecticidal N-substituted sulfoximines DOW AGROSCIENCES LLC (US) 2010-11-09 US disclosed
US-7795456-B2 Insecticidal N-substituted sulfoximines DOW AGROSCIENCES LLC (US) 2010-09-14 US disclosed
US-20100076032-A1 INSECTICIDAL N-SUBSTITUTED SULFOXIMINES DOW AGROSCIENCES LLC (US) 2010-03-25 US disclosed
WO-2006060029-A2 INSECTICIDAL N-SUBSTITUTED SULFOXIMINES DOW AGROSCIENCES LLC (US) 2006-06-08 WO disclosed
US-20050228027-A1 Insecticidal N-substituted sulfoximines CORTEVA AGRISCIENCE LLC 2005-10-13 US disclosed
US-4479003-A Heterocyclic-hydroxy-substituted carboxylate esters PHILIP MORRIS, INCORPORATED (US) 1984-10-23 US disclosed
US-4474819-A Flavored foodstuffs PHILIP MORRIS, INCORPORATED (US) 1984-10-02 US disclosed
EP-0015073-B1 SMOKING, FLAVORED AND FOODSTUFF COMPOSITIONS PHILIP MORRIS INCORPORATED (US) 1983-05-18 EP disclosed
EP-0037163-A2 Flavouring agents, smoking compositions, combustible articles and foodstuffs containing such agents, and a method of producing the same PHILIP MORRIS INCORPORATED (US) 1981-10-07 EP disclosed
US-4259969-A HYDROXYALKYLPYRAZINES AND -PYRIDINES PHILIP MORRIS INCORPORATED (US) 1981-04-07 US disclosed
EP-0015073-A1 Smoking, flavored and foodstuff compositions PHILIP MORRIS INCORPORATED (US) 1980-09-03 EP disclosed
US-4112236-A Interphenylene 8-aza-9-dioxothia-11,12-secoprostaglandins MERCK & CO., INC. (US) 1978-09-05 US disclosed
US-4046760-A Process for preparing 1-α-hydroxy cholesterol derivatives MERCK & CO., INC. (US) 1977-09-06 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 (3 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-20210163409-A1 ALTERNATE PROCESSES FOR THE PREPARATION OF PYRROLIDINE DERIVATIVES PRKD1, JAK1, JAK3 CHRM3 4816/4885CHRM1 4720/4885CHRM2 4786/4885
US-20100076032-A1 INSECTICIDAL N-SUBSTITUTED SULFOXIMINES GSS, STS, SMS CHRM3 1386/4885CHRM1 2488/4885CHRM2 2170/4885
US-20050228027-A1 Insecticidal N-substituted sulfoximines GSS, STS, SMS CHRM3 1386/4885CHRM1 2488/4885CHRM2 2170/4885

“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.