SCHEMBL12226502

SCHEMBL12226502

CC(=O)CN1CCC[C@@H](N)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
BCHE P06276 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.35
AGTR1 P30556 1/20 0.35
HPGD P15428 1/20 0.35
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM5 P08912 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.33
PTPN11 Q06124 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BIRC2 Q13490 1/20 0.33
HTT P42858 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
SCHEMBL12226495 1.00 HRH2 (0.37) HRH2HRH1BCHEL3MBTL1ALDH1A1
SCHEMBL12226499 0.89 HRH2 (0.44) HRH2HRH1BIRC2HTT
SCHEMBL5744837 0.89 HRH2 (0.44) HRH2HRH1BIRC2HTT
SCHEMBL12226501 0.89 HRH2 (0.44) HRH2HRH1BIRC2HTT
SCHEMBL28188602 0.85 KDM4E (0.35) HRH2HRH1BCHEL3MBTL1ALDH1A1
SCHEMBL25044512 0.83 KDM4E (0.34) HRH2HRH1BCHEL3MBTL1ALDH1A1
SCHEMBL1006794 0.83 KDM4E (0.42) BCHEL3MBTL1ALDH1A1LMNAAGTR1
SCHEMBL29307370 0.83 HSD17B10 (0.38) BCHEL3MBTL1ALDH1A1LMNAAGTR1
SCHEMBL1007467 0.83 KDM4E (0.42) BCHEL3MBTL1ALDH1A1LMNAAGTR1
SCHEMBL26089493 0.83 HSD17B10 (0.38) BCHEL3MBTL1ALDH1A1LMNAAGTR1

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
WO-2024148029-A2 ORGANIC COMPOUNDS AS NLRP3 INHIBITORS KODIAK SCIENCES INC. (US) 2024-07-11 WO disclosed
WO-2021057867-A1 CLASS OF CDK INHIBITOR BASED ON ORGANIC ARSINE, PREPARATION METHOD AND APPLICATION THEREOF 中国科学院上海有机化学研究所 2021-04-01 WO disclosed
US-8044206-B2 Nitrogen—containing heterocyclic derivatives having 2,6-disubstituted styryl ASTELLAS PHARMA INC. (JP) 2011-10-25 US disclosed
US-8044206-B2 Nitrogen—containing heterocyclic derivatives having 2,6-disubstituted styryl ASTELLAS PHARMA INC. (JP) 2011-10-25 US disclosed
US-20070099956-A1 Nitrogen-containing heterocyclic derivatives having 2, 6-disubstituted styryl ASTELLAS PHARMA INC. AND KOTOBUKI PHARMACEUTICAL CO., LTD. 2007-05-03 US disclosed
US-20070099956-A1 Nitrogen-containing heterocyclic derivatives having 2, 6-disubstituted styryl ASTELLAS PHARMA INC. AND KOTOBUKI PHARMACEUTICAL CO., LTD. 2007-05-03 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 (1 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-20070099956-A1 Nitrogen-containing heterocyclic derivatives having 2, 6-disubstituted styryl SCN1B, CACNA1B, SCN2A HRH2 894/4885HRH1 853/4885BCHE 1962/4885

“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.