Methylatropine

Methylatropine

SCHEMBL20798247

C[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O=[N+]([O-])[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 1.00
CHRM2 P08172 6/20 0.89
BLM P54132 4/20 0.87
PABPC1 P11940 1/20 0.87
CYP2C19 P33261 1/20 0.77
CHRM5 P08912 5/20 0.72
CHRM1 P11229 5/20 0.72
CHRM3 P20309 5/20 0.72
CHRM4 P08173 4/20 0.72
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
TSHR P16473 2/20 0.72
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
HIF1A Q16665 1/20 0.65
HSD17B10 Q99714 1/20 0.65
KDM4E B2RXH2 1/20 0.64
LMNA P02545 1/20 0.64
POLB P06746 1/20 0.64
ADRA2C P18825 1/20 0.64

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
Methylatropine SCHEMBL56394 1.00 SMN1; SMN2 (1.00) SMN1; SMN2CHRM2BLMPABPC1CYP2C19
Methylatropine SCHEMBL30003811 1.00 SMN1; SMN2 (1.00) SMN1; SMN2CHRM2BLMPABPC1CYP2C19
Methylatropine SCHEMBL34463463 0.94 CHRM2 (1.00) SMN1; SMN2CHRM2BLMPABPC1CYP2C19
Methylatropine SCHEMBL824874 0.94 CHRM2 (1.00) SMN1; SMN2CHRM2BLMPABPC1CYP2C19
Methylatropine SCHEMBL29389879 0.93 PABPC1 (1.00) SMN1; SMN2CHRM2BLMPABPC1CYP2C19
Methylatropine SCHEMBL30647266 0.93 BLM (1.00) SMN1; SMN2CHRM2BLMPABPC1CYP2C19
Methylatropine SCHEMBL1321572 0.93 BLM (1.00) SMN1; SMN2CHRM2BLMPABPC1CYP2C19
Atropine Oxide SCHEMBL98985 0.87 CYP2C19 (1.00) SMN1; SMN2CHRM2BLMPABPC1CYP2C19
Atropine Oxide SCHEMBL29369999 0.87 CYP2C19 (1.00) SMN1; SMN2CHRM2BLMPABPC1CYP2C19
Atropine Oxide SCHEMBL162929 0.87 CYP2C19 (1.00) SMN1; SMN2CHRM2BLMPABPC1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352347-B2 Dantrolene prodrugs and methods of their use Eagle Research Labs Limited (MT) 2022-06-07 US disclosed
US-20200383954-A1 METHODS OF USING DANTROLENE TO TREAT NERVE AGENT EXPOSURE EAGLE PHARMACEUTICALS, INC. 2020-12-10 US disclosed
US-20200239455-A1 DANTROLENE PRODRUGS AND METHODS OF THEIR USE Eagle Research Labs Limited 2020-07-30 US disclosed
EP-3678659-A1 METHODS OF USING DANTROLENE TO TREAT NERVE AGENT EXPOSURE Eagle Pharmaceuticals, Inc. (US) 2020-07-15 EP disclosed
WO-2019050923-A1 METHODS OF USING DANTROLENE TO TREAT NERVE AGENT EXPOSURE EAGLE PHARMACEUTICALS, INC. (US) 2019-03-14 WO 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-20200239455-A1 DANTROLENE PRODRUGS AND METHODS OF THEIR USE BID, TPMT, CES2 SMN1; SMN2 20/4885CHRM2 3600/4885BLM 1708/4885
US-20200383954-A1 METHODS OF USING DANTROLENE TO TREAT NERVE AGENT EXPOSURE PMP22, CNTN1, SMN1; SMN2 SMN1; SMN2 3/4885CHRM2 889/4885BLM 1246/4885
US-11352347-B2 Dantrolene prodrugs and methods of their use BID, TPMT, CES2 SMN1; SMN2 20/4885CHRM2 3600/4885BLM 1708/4885

“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.