SCHEMBL105381

SCHEMBL105381

CC(C)CCCCN1CCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.47
SIGMAR1 Q99720 1/20 0.44
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
GNAI3 P08754 2/20 0.37
GNAO1 P09471 2/20 0.37
GNAI1 P63096 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
GBA1 P04062 1/20 0.37

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
SCHEMBL24752794 0.98 PAOX (0.50) PAOXSIGMAR1USP2ALDH1A1HPGD
SCHEMBL8116181 0.98 PAOX (0.50) PAOXSIGMAR1USP2ALDH1A1HPGD
SCHEMBL438183 0.93 PAOX (0.44) PAOXSIGMAR1USP2ALDH1A1HPGD
SCHEMBL26375600 0.93 LMNA (0.43) PAOXSIGMAR1TP53SMN1; SMN2LMNA
SCHEMBL27057345 0.91 GBA1 (0.43) SIGMAR1TP53SMN1; SMN2LMNAGNAI3
SCHEMBL1810789 0.91 HRH3 (0.46) PAOXTP53SMN1; SMN2LMNAGNAI3
SCHEMBL25565620 0.85 GBA1 (0.46) SIGMAR1TP53SMN1; SMN2LMNAGNAI3
SCHEMBL20783151 0.85 HRH3 (0.43) PAOXSIGMAR1TP53SMN1; SMN2HRH3
SCHEMBL17806049 0.85 CHKA (0.41) PAOXSIGMAR1HRH3GBA1
SCHEMBL25111304 0.85 ALDH1A1 (0.44) PAOXSIGMAR1USP2ALDH1A1HPGD

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 61 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-4272825-A2 MTORC MODULATORS AND USES THEREOF Aeovian Pharmaceuticals, Inc. (US) 2023-11-08 EP disclosed
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF PIMEDBIO, INC. (KR) 2023-05-11 US disclosed
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF PIMEDBIO, INC. (KR) 2023-05-11 US disclosed
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2021-04-06 US disclosed
US-10544100-B2 Autophagy inhibitors TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2020-01-28 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-8163905-B2 Compounds and their uses 708 ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-20120065214-A1 COMPOUNDS AND THEIR USES 708 ASTRAZENECA AB (SE) 2012-03-15 US disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-20100196316-A1 CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION ENANTA PHARMACEUTICALS, INC. 2010-08-05 US disclosed
US-20100196316-A1 CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION ENANTA PHARMACEUTICALS, INC. 2010-08-05 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP PAOX 1856/4885SIGMAR1 4733/4885USP2 2631/4885
US-10544100-B2 Autophagy inhibitors BECN1, ATG7, SQSTM1 PAOX 778/4885SIGMAR1 2365/4885USP2 2049/4885
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 PAOX 3205/4885SIGMAR1 690/4885USP2 2483/4885
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R PAOX 1249/4885SIGMAR1 4096/4885USP2 2027/4885
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use TLR7, TLR9, TLR1 PAOX 1325/4885SIGMAR1 376/4885USP2 4336/4885
US-20100196316-A1 CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION HAVCR2, CHP1, PTPRC PAOX 4306/4885SIGMAR1 3317/4885USP2 4047/4885
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF TYR, TYRO3, TH PAOX 3095/4885SIGMAR1 2723/4885USP2 1919/4885
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R PAOX 1249/4885SIGMAR1 4096/4885USP2 2027/4885
US-20120065214-A1 COMPOUNDS AND THEIR USES 708 CYP3A7, CYP2C8, CYP2C18 PAOX 1955/4885SIGMAR1 386/4885USP2 4348/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP PAOX 1856/4885SIGMAR1 4733/4885USP2 2631/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R PAOX 1249/4885SIGMAR1 4096/4885USP2 2027/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 PAOX 1520/4885SIGMAR1 3569/4885USP2 1396/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 PAOX 3639/4885SIGMAR1 4229/4885USP2 873/4885

“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.