SCHEMBL18638043

SCHEMBL18638043

C1CCCN(CC2CO2)CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.48
CHRM5 P08912 1/20 0.48
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HBB P68871 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.39
HRH3 Q9Y5N1 2/20 0.36
ABCB1 P08183 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL21915928 1.00 ADRA2C (0.48) ADRA2CCHRM5ADRA2AADRA2BADRA1D
SCHEMBL19749861 1.00 ADRA2C (0.48) ADRA2CCHRM5ADRA2AADRA2BADRA1D
SCHEMBL18638041 1.00 ADRA2C (0.48) ADRA2CCHRM5ADRA2AADRA2BADRA1D
SCHEMBL6577437 1.00 ADRA2C (0.48) ADRA2CCHRM5ADRA2AADRA2BADRA1D
SCHEMBL3357474 1.00 ADRA2C (0.48) ADRA2CCHRM5ADRA2AADRA2BADRA1D
SCHEMBL334715 1.00 ADRA2C (0.48) ADRA2CCHRM5ADRA2AADRA2BADRA1D
SCHEMBL18769020 1.00 ADRA2C (0.48) ADRA2CCHRM5ADRA2AADRA2BADRA1D
SCHEMBL335246 0.97
SCHEMBL16274766 0.90 TP53 (0.42) ADRA2CCHRM5ADRA2AADRA2BADRA1D
SCHEMBL608892 0.87 HRH3 (0.48) ADRA2CCHRM5ADRA2AADRA2BADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220135544-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2022-05-05 US disclosed
US-10272087-B2 Pteridines as FGFR inhibitors ASTEX THERAPEUTICS LTD (GB) 2019-04-30 US disclosed
EP-3141633-B1 COPPER PLATING BATH COMPOSITION ATOTECH DEUTSCHLAND GMBH (DE) 2018-05-02 EP disclosed
US-9850228-B2 Pyrazolyl quinoxaline kinase inhibitors ASTEX THERAPEUTICS LTD (GB) 2017-12-26 US disclosed
US-9757364-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LTD (GB) 2017-09-12 US disclosed
US-9737544-B2 Compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-22 US disclosed
US-20170105978-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2017-04-20 US disclosed
EP-3141633-A1 COPPER PLATING BATH COMPOSITION ATOTECH Deutschland GmbH (DE) 2017-03-15 EP 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-20170105978-A1 NEW COMPOUNDS NQO1, NTPCR, NDC1 ADRA2C 1087/4885CHRM5 3952/4885ADRA2A 2600/4885
US-10272087-B2 Pteridines as FGFR inhibitors FGFR1, FGFR3, FGFR2 ADRA2C 4250/4885CHRM5 4357/4885ADRA2A 4475/4885
US-20220135544-A1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS PDXK, DCK, PDPK1 ADRA2C 2726/4885CHRM5 3827/4885ADRA2A 3350/4885

“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.