SCHEMBL1246045

SCHEMBL1246045

CCc1nc(C(=O)N2CCOC3(CCNCC3)C2)cs1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 13/20 0.67
▸ CHRM3 P20309 13/20 0.67
▸ PIK3CA P42336 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.40
▸ JAK1 P23458 2/20 0.38
▸ USP28 Q96RU2 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 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
Trifluoroacetic Acid SCHEMBL1246666 0.93 CHRM2 (0.60) CHRM2CHRM3PIK3CAMTORHRH3
SCHEMBL1247018 0.87 CHRM2 (0.70) CHRM2CHRM3HRH3
SCHEMBL10241517 0.86 CHRM2 (0.64) CHRM2CHRM3PIK3CAMTORJAK1
Hydrochloric Acid SCHEMBL2139922 0.85 CHRM2 (0.63) CHRM2CHRM3PIK3CAMTORJAK1
SCHEMBL1246736 0.83 CHRM2 (0.67) CHRM2CHRM3HRH3MEN1KMT2A
SCHEMBL1247151 0.82 CHRM2 (0.64) CHRM2CHRM3PIK3CAMTORJAK1
Hydrochloric Acid SCHEMBL1246725 0.82 CHRM2 (0.66) CHRM2CHRM3HRH3JAK1MEN1
Hydrochloric Acid SCHEMBL16279442 0.82 CHRM2 (0.66) CHRM2CHRM3HRH3JAK1MEN1
SCHEMBL10241694 0.81 CHRM2 (0.47) CHRM2CHRM3JAK1
Trifluoroacetic Acid SCHEMBL1246728 0.80 CHRM2 (0.58) CHRM2CHRM3PIK3CAMTORJAK1

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 17 patents. 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-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 — — US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 — — US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 — — US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 — — US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 — — US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 — — US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 — — US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 — — US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 — — US disclosed
EP-2459572-A2 SPIROCYCLIC AMIDE DERIVATIVES AstraZeneca AB (SE) 2012-06-06 — — EP disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 — — US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 — — US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 — — US disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 — — WO disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 — — 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

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-20130018037-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 CHRM2 157/4885CHRM3 97/4885PIK3CA 4365/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 CHRM2 157/4885CHRM3 97/4885PIK3CA 4365/4885

“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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