SCHEMBL487610

SCHEMBL487610

CCCNC(=O)C1CNCCO1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 15/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
HPGD P15428 1/20 0.44
BCHE P06276 1/20 0.40
CTSC P53634 1/20 0.39
SSTR1 P30872 1/20 0.38
SSTR2 P30874 1/20 0.38
SSTR3 P32745 1/20 0.38
SSTR5 P35346 1/20 0.38
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38

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
SCHEMBL18664465 0.88 SSTR4 (0.52) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL8860932 0.88 SSTR4 (0.52) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL18664463 0.88 SSTR4 (0.52) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL25021727 0.88 GNAI3 (0.54) SSTR4GNAI3GNAO1GNAI1
SCHEMBL25023253 0.88 GNAI3 (0.54) SSTR4GNAI3GNAO1GNAI1
SCHEMBL26724416 0.84 SSTR4 (0.47) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL6039537 0.81 SSTR4 (0.49) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL5634966 0.80 SSTR4 (0.48) SSTR4CTSCSSTR1SSTR2SSTR3
SCHEMBL13652995 0.80 SSTR4 (0.41) SSTR4CTSC
SCHEMBL4967939 0.79 SSTR4 (0.48) SSTR4CTSCSSTR1SSTR2SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113929642-B Dehydroabietylamine silver ion fluorescent probe and preparation method thereof 南京林业大学 2023-04-11 CN disclosed
CN-113929642-A Dehydroabietylamine silver ion fluorescent probe and preparation method thereof 南京林业大学 2022-01-14 CN disclosed
US-8106057-B2 Dihydroxyphenyl isoindolylmethanones ASTEX THERAPEUTICS, LTD. (GB) 2012-01-31 US disclosed
US-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES ASTEX THERAPEUTICS LTD. (GB) 2010-11-11 US disclosed
US-7754725-B2 Dihydroxyphenyl isoindolymethanones ASTEX THERAPEUTICS LTD. (GB) 2010-07-13 US disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US 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-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES HSP90AA1, HSP90AB1, HSP90AB2P SSTR4 4548/4885CHRNB2 2796/4885CHRNB4 2855/4885
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma HSP90AB2P, HSP90AA1, HSP90AB1 SSTR4 4357/4885CHRNB2 3719/4885CHRNB4 3747/4885

“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.