SCHEMBL652586

SCHEMBL652586

Oc1ccc(C2(O)CCNCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.68
ESR2 Q92731 3/20 0.45
ESR1 P03372 2/20 0.45
SIGMAR1 Q99720 1/20 0.41
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
OPRM1 P35372 1/20 0.39
KCNH2 Q12809 2/20 0.36
OPRD1 P41143 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
CYP2D6 P10635 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL22411503 0.82 DRD2 (0.45) DRD2ESR2ESR1DRD4DRD3
SCHEMBL8398996 0.81 DRD2 (0.51) DRD2ESR2ESR1SIGMAR1OPRM1
SCHEMBL12193959 0.81 DRD2 (0.66) DRD2SIGMAR1OPRM1MAPKAPK2
SCHEMBL4472985 0.81 DRD2 (0.66) DRD2SIGMAR1DRD4DRD3OPRM1
SCHEMBL578373 0.81 DRD2 (0.66) DRD2SIGMAR1DRD4DRD3OPRM1
SCHEMBL613058 0.81 DRD2 (0.66) DRD2SIGMAR1OPRM1KCNH2OPRD1
SCHEMBL187716 0.81 DRD2 (1.00) DRD2DRD4DRD3OPRM1OPRD1
SCHEMBL615480 0.81 DRD2 (0.66) DRD2SIGMAR1DRD4DRD3OPRM1
SCHEMBL306026 0.80 DRD2 (0.64) DRD2SIGMAR1OPRM1OPRD1CYP2D6
SCHEMBL21051570 0.79 ESR2 (0.56) DRD2ESR2ESR1DRD4DRD3

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-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor Nanjing Immunophage Biotech Co., Ltd. (CN) 2022-05-12 US disclosed
US-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor Nanjing Immunophage Biotech Co., Ltd. (CN) 2022-05-12 US disclosed
WO-2020186220-A1 COMPOUNDS AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2020-09-17 WO disclosed
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 US disclosed
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-12-18 US disclosed
CN-104031054-A Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARM INC 2014-09-10 CN disclosed
CN-102388048-B Triazolo [4,3-b] pyridazine derivatives and their uses for prostate cancer ASTRAZENECA AB 2014-07-30 CN disclosed
CN-1585772-B chemokine receptor antagonists and methods and uses thereof MILLENNIUM PHARM INC 2014-06-04 CN disclosed
US-8653096-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
WO-1999064041-A9 MULTIBINDING AGENTS THAT MODULATE NMDA RECEPTORS ADVANCED MEDICINE INC (US) 2001-05-31 WO disclosed
EP-1100519-A1 MULTIBINDING AGENTS THAT MODULATE NMDA RECEPTORS Advanced Medicine, Inc. (US) 2001-05-23 EP disclosed
EP-1097924-A1 4-hydroxy-4-phenylpiperidine derivatives having -opioid agonist activity and pharmaceuticals containing the same SSP Co., Ltd. (JP) 2001-05-09 EP disclosed
CN-1289336-A Chemokine receptor antagonists and methods of use therefor LEUKOSITE INC (US) 2001-03-28 CN disclosed
WO-2001009138-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-08 WO disclosed
EP-1049700-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2000-11-08 EP disclosed
WO-1999064041-A1 MULTIBINDING AGENTS THAT MODULATE NMDA RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999037651-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENIUM PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed
US-5350852-A Neurokinin A receptor antagonist SANOFI (FR) 1994-09-27 US disclosed
US-5236921-A Administrering for treatment of neutrogenic inflammation of the respiratory trart SANOFI (FR) 1993-08-17 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 (3 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-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor MIF, MMP12, SLC11A2 DRD2 4337/4885ESR2 3986/4885ESR1 4439/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 DRD2 3118/4885ESR2 1898/4885ESR1 4357/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 DRD2 3118/4885ESR2 1898/4885ESR1 4357/4885

“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.