SCHEMBL2139692

SCHEMBL2139692

O=C(c1csc(-c2ccccc2)n1)N1CCOC2(CCN(CCCCCCCCCO)CC2)C1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 16/20 0.58
▸ CHRM3 P20309 16/20 0.58
▸ ACKR3 P25106 1/20 0.44
▸ HPGDS O60760 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ HTR2C P28335 1/20 0.41

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
SCHEMBL2142020 0.84 CHRM2 (0.67) CHRM2CHRM3
SCHEMBL2141128 0.84 CHRM2 (0.58) CHRM2CHRM3PTGDR2HTR2C
SCHEMBL12101048 0.84 CYP3A4 (0.49) ACKR3PTGDR2
SCHEMBL2140943 0.82 CHRM2 (0.69) CHRM2CHRM3
SCHEMBL2140846 0.81 CHRM2 (0.55) CHRM2CHRM3PTGDR2HTR2C
SCHEMBL2142441 0.81 CHRM2 (0.61) CHRM2CHRM3
SCHEMBL2142176 0.78 CHRM2 (0.54) CHRM2CHRM3ACKR3HPGDSHTR2C
SCHEMBL2140889 0.77 CHRM2 (0.62) CHRM2CHRM3
SCHEMBL2141658 0.77 HPGD (0.46) CHRM2CHRM3HTR2C
SCHEMBL10242601 0.77 ADRB2 (0.52) CHRM2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 — — US 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
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 — — US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 — — US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 — — US disclosed
EP-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 — — EP disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 — — US disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 — — US disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 — — US disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 — — EP 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 (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-20120322788-A1 Compouds PKD1, SBDS, ABCB11 CHRM2 3668/4885CHRM3 4265/4885ACKR3 3285/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 CHRM2 2419/4885CHRM3 2714/4885ACKR3 2230/4885

“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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