SCHEMBL792225

SCHEMBL792225

CCN(C)CCN1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.49
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TP53 P04637 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
TSHR P16473 2/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
CYP3A4 P08684 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL791957 1.00 SIGMAR1 (0.49) SIGMAR1SLC6A2SLC6A4SLC6A3TP53
SCHEMBL7003575 0.98 SIGMAR1 (0.50) SIGMAR1SLC6A2SLC6A4SLC6A3TP53
SCHEMBL19493355 0.93 SIGMAR1 (0.46) SIGMAR1SLC6A2SLC6A4SLC6A3TP53
SCHEMBL791946 0.88 SIGMAR1 (0.58) SIGMAR1SLC6A2SLC6A4SLC6A3TP53
SCHEMBL20750292 0.88
SCHEMBL791887 0.87 HRH3 (0.50) SIGMAR1CYP1A2HRH3
SCHEMBL17539606 0.85 SIGMAR1 (0.60) SIGMAR1SLC6A2SLC6A4SLC6A3TP53
SCHEMBL20332102 0.84 SIGMAR1 (0.46) SIGMAR1HRH3
SCHEMBL791611 0.84 SIGMAR1 (0.51) SIGMAR1SLC6A2SLC6A4SLC6A3TP53
SCHEMBL13855450 0.84 SIGMAR1 (0.38) SIGMAR1

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 49 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
WO-2022093817-A1 MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS, AND METHODS OF MAKING AND USING SAME YALE UNIVERSITY (US) 2022-05-05 WO disclosed
US-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES ERASCA, INC. 2021-09-23 US disclosed
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2021-04-06 US disclosed
EP-3267794-B1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2020-09-09 EP disclosed
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2019-09-12 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 US disclosed
WO-2016130968-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR YALE UNIVERSITY (US) 2016-08-18 WO disclosed
US-9108922-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
US-7342013-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-11 US disclosed
US-7314874-B2 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide;modified amidine elements of high potency in vitro, excellent pharmacological and pharmaceutical properties in vivo MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 US disclosed
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 US disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 EP disclosed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 EP 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 (8 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 SIGMAR1 3155/4885SLC6A2 4036/4885SLC6A4 4166/4885
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R SIGMAR1 4096/4885SLC6A2 3467/4885SLC6A4 3784/4885
US-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES SDHB, CCNI, SDHA SIGMAR1 2550/4885SLC6A2 4167/4885SLC6A4 3927/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 SIGMAR1 4392/4885SLC6A2 4065/4885SLC6A4 3950/4885
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 SIGMAR1 4392/4885SLC6A2 4065/4885SLC6A4 3950/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R SIGMAR1 4096/4885SLC6A2 3467/4885SLC6A4 3784/4885
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors ATP2A1, ATP2A3, KCNN4 SIGMAR1 522/4885SLC6A2 421/4885SLC6A4 282/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 SIGMAR1 4229/4885SLC6A2 2796/4885SLC6A4 3391/4885

“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.