SCHEMBL20328702

SCHEMBL20328702

CC(C)OCCCOCCCN1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC6A2 P23975 2/20 0.43
HRH1 P35367 2/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1C Q13936 1/20 0.43
SCN5A Q14524 1/20 0.43
CHRM4 P08173 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL20328709 0.98 HRH3 (0.47) HRH3MEN1KMT2ASLC6A2HRH1
SCHEMBL20328699 0.96 HRH3 (0.41) HRH3MEN1KMT2ASLC6A2HRH1
SCHEMBL20328700 0.95 HRH3 (0.44) HRH3MEN1KMT2ASLC6A2HRH1
SCHEMBL20328694 0.93 HRH3 (0.45) HRH3MEN1KMT2ASLC6A2HRH1
SCHEMBL9917280 0.92 MEN1 (0.50) HRH3MEN1KMT2AALDH1A1CYP2D6
SCHEMBL20328695 0.91 HRH3 (0.47) HRH3MEN1KMT2ASLC6A2HRH1
SCHEMBL8967124 0.90 HRH3 (0.50) HRH3MEN1KMT2AKCNH2ALDH1A1
SCHEMBL9917380 0.90 HRH3 (0.50) HRH3MEN1KMT2AKCNH2ALDH1A1
SCHEMBL22509507 0.88 MEN1 (0.46) HRH3MEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL20328704 0.87 HRH3 (0.39) HRH3MEN1KMT2ASIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2021-04-06 US disclosed
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2019-09-12 US disclosed
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2019-07-02 US disclosed
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2018-06-28 US disclosed
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2018-06-28 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 (5 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-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R HRH3 2066/4885MEN1 3635/4885KMT2A 2283/4885
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R HRH3 2066/4885MEN1 3635/4885KMT2A 2283/4885
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R HRH3 2066/4885MEN1 3635/4885KMT2A 2283/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R HRH3 2066/4885MEN1 3635/4885KMT2A 2283/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 HRH3 3657/4885MEN1 951/4885KMT2A 1661/4885

“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.