SCHEMBL791887

SCHEMBL791887

CCN(C)CCCN1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.50
SIGMAR1 Q99720 6/20 0.45
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL20332102 0.98 SIGMAR1 (0.46) HRH3SIGMAR1
SCHEMBL21257702 0.94 SIGMAR1 (0.43) HRH3SIGMAR1
SCHEMBL20333472 0.89 HRH3 (0.56) HRH3SIGMAR1CYP1A2MAPK1SMN1; SMN2
SCHEMBL791957 0.87 SIGMAR1 (0.49) HRH3SIGMAR1CYP1A2
SCHEMBL792225 0.87 SIGMAR1 (0.49) HRH3SIGMAR1CYP1A2
SCHEMBL26447197 0.86 HRH3 (0.48) HRH3SIGMAR1
SCHEMBL20332960 0.85 PAOX (0.41) SIGMAR1
SCHEMBL7003575 0.85 SIGMAR1 (0.50) SIGMAR1CYP1A2
SCHEMBL17526223 0.85 SIGMAR1 (0.55) HRH3SIGMAR1
SCHEMBL17526227 0.85 SIGMAR1 (0.55) HRH3SIGMAR1

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 16 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-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-08-22 US disclosed
WO-2023081759-A1 BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
US-20230029557-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-02-02 US disclosed
US-11066420-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-20 US disclosed
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2021-04-06 US disclosed
US-20200055875-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-20 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 HRH3 4130/4885SIGMAR1 3155/4885CYP1A2 1549/4885
US-20230029557-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF ACP1, PTPRCAP, PTPRO HRH3 4795/4885SIGMAR1 3702/4885CYP1A2 4566/4885
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R HRH3 2066/4885SIGMAR1 4096/4885CYP1A2 3025/4885
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof ACP1, PTPRCAP, PTPRO HRH3 4795/4885SIGMAR1 3702/4885CYP1A2 4566/4885
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R HRH3 2066/4885SIGMAR1 4096/4885CYP1A2 3025/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HRH3 4130/4885SIGMAR1 3155/4885CYP1A2 1549/4885
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R HRH3 2066/4885SIGMAR1 4096/4885CYP1A2 3025/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R HRH3 2066/4885SIGMAR1 4096/4885CYP1A2 3025/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 HRH3 3657/4885SIGMAR1 4229/4885CYP1A2 3293/4885
US-20200055875-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF ACP1, PTPRCAP, PTPRO HRH3 4795/4885SIGMAR1 3702/4885CYP1A2 4566/4885
US-11066420-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof ACP1, PTPRCAP, PTPRO HRH3 4795/4885SIGMAR1 3702/4885CYP1A2 4566/4885

“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.