SCHEMBL439740

SCHEMBL439740

CC(C)CCCCN1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.56
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
LMNA P02545 2/20 0.40
HRH1 P35367 1/20 0.40
LSS P48449 1/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL441058 0.98 HRH3 (0.61) HRH3MAPTMEN1KMT2AFPR3
SCHEMBL38662815 0.98 HRH3 (0.61) HRH3MAPTMEN1KMT2AFPR3
SCHEMBL21016238 0.98 HRH3 (0.61) HRH3MAPTMEN1KMT2AFPR3
SCHEMBL10778023 0.96 HRH3 (0.65) HRH3MAPTFPR3FPR2HRH1
SCHEMBL6246899 0.96 HRH3 (0.65) HRH3MAPTFPR3FPR2HRH1
SCHEMBL7866253 0.96 HRH3 (0.65) HRH3MAPTFPR3FPR2HRH1
Bromide SCHEMBL15941761 0.96 HRH3 (0.58) HRH3MAPTMEN1KMT2AFPR3
SCHEMBL438473 0.95 HRH3 (0.50) HRH3MAPTMEN1KMT2AFPR3
SCHEMBL439509 0.93 HRH3 (0.52) HRH3MAPTMEN1KMT2AFPR3
SCHEMBL172955 0.91 HRH3 (0.56) HRH3MAPTMEN1KMT2AHRH1

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 51 patents — showing the first 20. 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-11827641-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2023-11-28 US disclosed
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
US-20230149910-A1 CATALYST COMPOSITION MOMENTIVE PERFORMANCE MATERIALS INC. 2023-05-18 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
EP-3519393-B1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS EPIZYME INC (US) 2022-05-18 EP 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-20100267757-A1 AMINOTHIAZOLES AND THEIR USES NOVARTIS AG (CH) 2010-10-21 US disclosed
US-20100267757-A1 AMINOTHIAZOLES AND THEIR USES NOVARTIS AG (CH) 2010-10-21 US disclosed
US-20090186830-A1 MACROCYCLES AND THEIR USES NOVARTIS AG (CH) 2009-07-23 US disclosed
US-20090186830-A1 MACROCYCLES AND THEIR USES NOVARTIS AG (CH) 2009-07-23 US disclosed
US-20080221142-A1 useful in interfering with the life cycle of bacteria and in treating or preventing a bacterial infection NOVARTIS AG (CH) 2008-09-11 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-07-03 US disclosed
US-7365193-B2 Amino-substituted tricyclic derivatives and methods of use ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
EP-1813616-A2 Pyrazoloquinolines with immunomodulating activity Active Biotech AB (SE) 2007-08-01 EP disclosed
EP-1562944-B1 PYRAZOLOQUINOLINES WITH IMMUNOMODULATING ACTIVITY ACTIVE BIOTECH AB (SE) 2007-02-14 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 (11 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-20100267757-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, GOT2 HRH3 3180/4885MAPT 380/4885MEN1 3821/4885
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R HRH3 2066/4885MAPT 4521/4885MEN1 3635/4885
US-20080221142-A1 useful in interfering with the life cycle of bacteria and in treating or preventing a bacterial infection LPO, PCNA, BPGM HRH3 3731/4885MAPT 4316/4885MEN1 3628/4885
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use TLR7, TLR9, TLR1 HRH3 355/4885MAPT 4108/4885MEN1 4487/4885
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R HRH3 2066/4885MAPT 4521/4885MEN1 3635/4885
US-20090186830-A1 MACROCYCLES AND THEIR USES CYP11B2, OAT, CYP27A1 HRH3 3885/4885MAPT 2470/4885MEN1 947/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP HRH3 866/4885MAPT 63/4885MEN1 1427/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 HRH3 321/4885MAPT 3318/4885MEN1 3032/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R HRH3 2066/4885MAPT 4521/4885MEN1 3635/4885
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE HRH3 13/4885MAPT 4460/4885MEN1 4309/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 HRH3 3657/4885MAPT 371/4885MEN1 951/4885

“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.