SCHEMBL1151078

SCHEMBL1151078

NC1CCCc2c(F)cccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
KDM1A O60341 2/20 0.40
KDM1B Q8NB78 1/20 0.40
KDM4C Q9H3R0 3/20 0.38
AADAT Q8N5Z0 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
ACHE P22303 1/20 0.36
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 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
SCHEMBL4666253 0.89 DRD2 (0.53) DRD2DRD3CYP11B1CYP11B2KDM1A
SCHEMBL17702023 0.89 DRD2 (0.53) DRD2DRD3CYP11B1CYP11B2KDM1A
SCHEMBL30563612 0.89 DRD2 (0.53) DRD2DRD3CYP11B1CYP11B2KDM1A
SCHEMBL1150855 0.89 DRD2 (0.53) DRD2DRD3CYP11B1CYP11B2KDM1A
SCHEMBL30327617 0.89 DRD2 (0.53) DRD2DRD3CYP11B1CYP11B2KDM1A
Hydrochloric Acid SCHEMBL3593159 0.87 DRD2 (0.51) DRD2DRD3CYP11B1CYP11B2KDM1A
Hydrochloric Acid SCHEMBL31186912 0.87 DRD2 (0.51) DRD2DRD3CYP11B1CYP11B2KDM1A
Hydrochloric Acid SCHEMBL17579984 0.87 DRD2 (0.51) DRD2DRD3CYP11B1CYP11B2KDM1A
Methylamine SCHEMBL28781379 0.85 DRD2 (0.50) DRD2DRD3CYP11B1CYP11B2KDM1A
SCHEMBL1150666 0.83 ADRA2A (0.43) CYP11B1CYP11B2AADATACHEIDO1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11198685-B2 Substituted ureas and methods of making and using same MEBIAS DISCOVERY, INC. (US) 2021-12-14 US disclosed
WO-2021217508-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF HIF2α AND THEIR METHODS OF USE NOVARTIS AG (CH) 2021-11-04 WO disclosed
US-20200308155-A1 Substituted Ureas and Methods of Making and Using Same MEBIAS DISCOVERY, INC. 2020-10-01 US disclosed
US-10683283-B2 Substituted ureas and methods of making and using same MEBIAS DISCOVERY, INC. (US) 2020-06-16 US disclosed
US-7884109-B2 immunosuppressants such as 2-(6-Fluoro-1H-benzo[d]imidazol-1-yl)-9-((1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-8(9H)-one, used for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-02-08 US disclosed
US-7884109-B2 immunosuppressants such as 2-(6-Fluoro-1H-benzo[d]imidazol-1-yl)-9-((1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-8(9H)-one, used for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-02-08 US disclosed
US-7884109-B2 immunosuppressants such as 2-(6-Fluoro-1H-benzo[d]imidazol-1-yl)-9-((1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-8(9H)-one, used for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-02-08 US disclosed
US-7884244-B2 Therapeutic fluoroethylcyano guanidines ALLERGAN, INC. (US) 2011-02-08 US disclosed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
EP-2099800-A1 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION Pharmacopeia, LLC (US) 2009-09-16 EP disclosed
US-20080119496-A1 7-Substituted Purine Derivatives for Immunosuppression PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-05-22 US disclosed
US-20080119496-A1 7-Substituted Purine Derivatives for Immunosuppression PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-05-22 US disclosed
US-20080119496-A1 7-Substituted Purine Derivatives for Immunosuppression PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-05-22 US disclosed
WO-2008060301-A1 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA , LLC (US) 2008-05-22 WO disclosed
WO-2008060301-A1 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA , LLC (US) 2008-05-22 WO disclosed
EP-1874772-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-01-09 EP disclosed
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression WYETH LLC 2007-01-25 US disclosed
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression WYETH LLC 2007-01-25 US disclosed
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression WYETH LLC 2007-01-25 US disclosed
WO-2006108103-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2006-10-12 WO 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 (5 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-20080119496-A1 7-Substituted Purine Derivatives for Immunosuppression P2RX7, P2RX5, P2RY1 DRD2 1280/4885DRD3 747/4885CYP11B1 1574/4885
US-10683283-B2 Substituted ureas and methods of making and using same UMPS, METTL3, UTS2R DRD2 3348/4885DRD3 2618/4885CYP11B1 4146/4885
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 DRD2 1611/4885DRD3 1617/4885CYP11B1 1721/4885
US-11198685-B2 Substituted ureas and methods of making and using same UMPS, METTL3, UTS2R DRD2 3348/4885DRD3 2618/4885CYP11B1 4146/4885
US-20200308155-A1 Substituted Ureas and Methods of Making and Using Same UMPS, METTL3, UTS2R DRD2 3348/4885DRD3 2618/4885CYP11B1 4146/4885

“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.