Atropine

Atropine

SCHEMBL1411666

CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2.CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2.O=S(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3

The experimentally established mechanism targets of Atropine. 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
▸ CHRM1 known ✓ P11229 5/20 0.91
▸ CHRM2 known ✓ P08172 5/20 0.91
▸ CHRM3 known ✓ P20309 4/20 0.91
▸ MAPT P10636 1/20 1.00
▸ ALDH1A1 P00352 1/20 0.98
▸ CHRM5 P08912 4/20 0.91
▸ CHRM4 P08173 4/20 0.91
▸ LMNA P02545 3/20 0.91
▸ HTR2C P28335 2/20 0.91
▸ NFKB1 P19838 2/20 0.91
▸ BLM P54132 2/20 0.91
▸ KMT2A Q03164 2/20 0.91
▸ KDM4E B2RXH2 1/20 0.91
▸ MEN1 O00255 1/20 0.91
▸ POLB P06746 1/20 0.91
▸ ADRA2C P18825 1/20 0.91
▸ ADRA1A P35348 1/20 0.91
▸ HRH1 P35367 1/20 0.91
▸ SLC22A1 O15245 1/20 0.91
▸ ADRA1D P25100 1/20 0.91

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
Atropine SCHEMBL27510472 1.00 MAPT (1.00) MAPTALDH1A1CHRM1CHRM2CHRM5
Atropine SCHEMBL3050622 1.00 MAPT (1.00) MAPTALDH1A1CHRM1CHRM2CHRM5
Atropine SCHEMBL28275981 1.00 MAPT (1.00) MAPTALDH1A1CHRM1CHRM2CHRM5
Endo-Atropine SCHEMBL29555014 1.00 MAPT (1.00) MAPTALDH1A1CHRM1CHRM2CHRM5
Hyoscyamine SCHEMBL34273 1.00 MAPT (1.00) MAPTALDH1A1CHRM1CHRM2CHRM5
Atropine SCHEMBL31133 1.00 MAPT (1.00) MAPTALDH1A1CHRM1CHRM2CHRM5
Atropine SCHEMBL2406485 1.00 MAPT (1.00) MAPTALDH1A1CHRM1CHRM2CHRM5
Atropine SCHEMBL31132 1.00 MAPT (1.00) MAPTALDH1A1CHRM1CHRM2CHRM5
Atropine SCHEMBL34274 1.00 MAPT (1.00) MAPTALDH1A1CHRM1CHRM2CHRM5
Atropine SCHEMBL34275 1.00 MAPT (1.00) MAPTALDH1A1CHRM1CHRM2CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3366680-B1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES PARION SCIENCES INC (US) 2020-05-13 — — EP disclosed
EP-3366680-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES Parion Sciences, Inc. (US) 2018-08-29 — — EP disclosed
US-20180111907-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES PARION SCIENCES, INC. 2018-04-26 — — US disclosed
EP-2855435-B1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES PARION SCIENCES INC (US) 2018-04-11 — — EP disclosed
US-9878988-B2 Dendrimer like amino amides possessing sodium channel blocker activity for the treatment of dry eye and other mucosal diseases PARION SCIENCES, INC. (US) 2018-01-30 — — US disclosed
US-20160122306-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES PARION SCIENCES, INC. (US) 2016-05-05 — — US disclosed
US-9260398-B2 Dendrimer like amino amides possessing sodium channel blocker activity for the treatment of dry eye and other mucosal diseases PARION SCIENCES, INC. (US) 2016-02-16 — — US disclosed
US-20150099764-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES PARION SCIENCES, INC. (US) 2015-04-09 — — US disclosed
EP-2855435-A2 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES Parion Sciences, Inc. (US) 2015-04-08 — — EP disclosed
US-8980898-B2 Dendrimer like amino amides possessing sodium channel blocker activity for the treatment of dry eye and other mucosal diseases PARION SCIENCES, INC. (US) 2015-03-17 — — US disclosed
WO-2013181232-A2 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES JOHNSON MICHAEL ROSS (US) 2013-12-05 — — WO disclosed
US-20130324559-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES PARION SCIENCES, INC. (US) 2013-12-05 — — US disclosed
WO-2011081937-A1 CORTICOSTEROID-BETA-AGONIST-MUSCARINIC ANTAGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2011-07-07 — — WO disclosed
EP-2294077-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY Gilead Sciences, Inc. (US) 2011-03-16 — — EP disclosed
WO-2010132743-A1 CORTICOSTEROID BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2010-11-18 — — WO disclosed
WO-2010126953-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2010-11-04 — — WO disclosed
US-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2009-12-24 — — US disclosed
WO-2009152171-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2009-12-17 — — 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 (5 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-20150099764-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES SCNN1B, SCNN1A, SCNN1G CHRM1 434/4885CHRM2 270/4885CHRM3 166/4885
US-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY ADRB1, ADRB2, ADRB3 CHRM1 74/4885CHRM2 76/4885CHRM3 24/4885
US-20160122306-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES SCNN1B, SCNN1A, SCNN1G CHRM1 434/4885CHRM2 270/4885CHRM3 166/4885
US-20130324559-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES SCNN1B, SCNN1A, SCNN1G CHRM1 434/4885CHRM2 270/4885CHRM3 166/4885
US-20180111907-A1 DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES SCNN1B, SCNN1A, SCNN1G CHRM1 434/4885CHRM2 270/4885CHRM3 166/4885

“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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