SCHEMBL1246736

SCHEMBL1246736

CC(C)c1nc(C(=O)N2CCOC3(CCNCC3)C2)cs1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 13/20 0.67
▸ CHRM3 P20309 13/20 0.67
▸ KMT2A Q03164 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ HTR2C P28335 2/20 0.35

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
Hydrochloric Acid SCHEMBL16279442 0.99 CHRM2 (0.66) CHRM2CHRM3KMT2AGFERMEN1
Hydrochloric Acid SCHEMBL1246725 0.99 CHRM2 (0.66) CHRM2CHRM3KMT2AGFERMEN1
Trifluoroacetic Acid SCHEMBL1246889 0.93 CHRM2 (0.63) CHRM2CHRM3KMT2AGFERMEN1
Trifluoroacetic Acid SCHEMBL2140552 0.93 CHRM2 (0.63) CHRM2CHRM3KMT2AGFERMEN1
SCHEMBL1246663 0.87 CHRM2 (0.73) CHRM2CHRM3KMT2AGFERMEN1
SCHEMBL10241517 0.86 CHRM2 (0.64) CHRM2CHRM3GFERHTR2C
Hydrochloric Acid SCHEMBL2139922 0.85 CHRM2 (0.63) CHRM2CHRM3GFERHTR2C
SCHEMBL15080608 0.84 CHRM2 (0.75) CHRM2CHRM3
SCHEMBL10241980 0.83 CHRM2 (0.48) CHRM2CHRM3KMT2AGFERMEN1
SCHEMBL1246045 0.83 CHRM2 (0.67) CHRM2CHRM3KMT2AMEN1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459572-B1 SPIROCYCLIC AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2018-09-12 — — EP disclosed
US-20160002261-A1 Process ASTRAZENECA AB (SE) 2016-01-07 — — US disclosed
US-20160002261-A1 Process ASTRAZENECA AB (SE) 2016-01-07 — — US disclosed
US-20160002261-A1 Process ASTRAZENECA AB (SE) 2016-01-07 — — US disclosed
US-20140364601-A1 PROCESS ASTRAZENECA AB (SE) 2014-12-11 — — US disclosed
US-20140364601-A1 PROCESS ASTRAZENECA AB (SE) 2014-12-11 — — US disclosed
US-20140364601-A1 PROCESS ASTRAZENECA AB (SE) 2014-12-11 — — US disclosed
EP-2707362-A1 PROCESS AstraZeneca AB (SE) 2014-03-19 — — EP disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 — — US disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 — — US disclosed
WO-2011012897-A1 NEW COMBINATIONS FOR THE TREATMENT OF ASTHMA ASTRAZENECA AB (SE) 2011-02-03 — — WO disclosed
WO-2011012897-A1 NEW COMBINATIONS FOR THE TREATMENT OF ASTHMA ASTRAZENECA AB (SE) 2011-02-03 — — WO disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 — — EP disclosed
WO-2010067102-A1 DIAZASPIRO [5.5] UNDECANE DERIVATIVES AND RELATED COMPOUNDS AS MUSCARINIC-RECEPTOR ANTAGONISTS AND BETA-ADRENORECEPTOR AGONISTS FOR THE TREATMENT OF PULMONARY DISORDERS ASTRAZENECA AB (SE) 2010-06-17 — — WO disclosed
WO-2010067102-A1 DIAZASPIRO [5.5] UNDECANE DERIVATIVES AND RELATED COMPOUNDS AS MUSCARINIC-RECEPTOR ANTAGONISTS AND BETA-ADRENORECEPTOR AGONISTS FOR THE TREATMENT OF PULMONARY DISORDERS ASTRAZENECA AB (SE) 2010-06-17 — — WO disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 — — US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 — — US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 — — US disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 — — WO disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 — — 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-20140364601-A1 PROCESS CYP1A2, CYP3A4, CYP11B2 CHRM2 3666/4885CHRM3 3835/4885KMT2A 3650/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 CHRM2 2419/4885CHRM3 2714/4885KMT2A 4286/4885
US-20160002261-A1 Process CYP1A2, CYP11B2, CYP2F1 CHRM2 3740/4885CHRM3 4106/4885KMT2A 3653/4885

“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.

Send feedback