SCHEMBL861986

SCHEMBL861986

CC(C)(C)OC(=O)N1CCCc2ccc(CCO)nc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.40
ESR2 Q92731 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
BRD4 O60885 1/20 0.36
NR1H2 P55055 1/20 0.36
CHRM4 P08173 1/20 0.35
DRD2 P14416 1/20 0.35
HTR7 P34969 1/20 0.35
CYP11B2 P19099 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
ITGAV P06756 3/20 0.34
ITGB6 P18564 3/20 0.34
FGFR4 P22455 5/20 0.34
NOTUM Q6P988 1/20 0.34
GRM5 P41594 1/20 0.34
DHODH Q02127 1/20 0.34
KDM1A O60341 1/20 0.33

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
SCHEMBL19953719 0.93 MPO (0.39) MPOESR2NPC1RAB9ABRD4
SCHEMBL21328581 0.92 MPO (0.39) MPOESR2NPC1RAB9ABRD4
SCHEMBL20481168 0.91 MPO (0.38) MPOESR2NPC1RAB9ABRD4
SCHEMBL30918981 0.91 MPO (0.41) MPOESR2NPC1RAB9ABRD4
SCHEMBL860569 0.90 L3MBTL1 (0.36) MPONPC1RAB9AITGAVITGB6
SCHEMBL12705225 0.90 MPO (0.42) MPOESR2NPC1RAB9ABRD4
SCHEMBL29702243 0.90 MPO (0.40) MPOESR2NPC1RAB9ABRD4
SCHEMBL20158179 0.90 MPO (0.40) MPOESR2NPC1RAB9ABRD4
SCHEMBL24908851 0.89 MPO (0.39) MPOESR2NPC1RAB9ABRD4
SCHEMBL3138861 0.89 MPO (0.39) MPOESR2NPC1RAB9ABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665458-A1 INHIBITING ALPHA V BETA8 INTEGRIN Morphic Therapeutic, Inc. (US) 2025-12-24 EP disclosed
WO-2024173572-A1 INHIBITING α vβ8 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2024-08-22 WO disclosed
WO-2024083086-A1 BICYCLIC DERIVATIVE INTEGRIN INHIBITOR 上海如凌生物医药有限公司 2024-04-25 WO disclosed
EP-3538526-B1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-04-10 EP disclosed
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 US disclosed
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 US disclosed
EP-3929196-B1 PHARMACEUTICAL COMPOSITION OF A NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORP (JP) 2023-08-23 EP disclosed
US-11673887-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-11673887-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-20230136073-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORPORATION (JP) 2023-05-04 US disclosed
US-20050209225-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-09-22 US disclosed
US-20050165036-A1 Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-07-28 US disclosed
US-6872730-B2 Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-03-29 US disclosed
US-6855722-B2 Substituted indoles and their use as integrin antagonists DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-02-15 US disclosed
EP-1425010-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2004-06-09 EP disclosed
EP-1390362-A1 SUBSTITUTED BENZOFURANS AND BENZOTHIOPHENES, METHODS OF MAKING AND METHODS OF USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-02-25 EP disclosed
US-20030018064-A1 Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-01-23 US disclosed
US-20020169200-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-14 US disclosed
WO-2002088118-A1 SUBSTITUTED BENZOFURANS AND BENZOTHIOPHENES, METHODS OF MAKING AND METHODS OF USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-11-07 WO disclosed
WO-2002060438-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-08-08 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 (7 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-20230136073-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF SLC39A3, SLC39A14, SLC39A11 MPO 229/4885ESR2 3797/4885NPC1 798/4885
US-20050165036-A1 Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists ITGB5, ITGAV, ITGB1 MPO 3892/4885ESR2 62/4885NPC1 3696/4885
US-11673887-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL MPO 3136/4885ESR2 2612/4885NPC1 1262/4885
US-20030018064-A1 Substituted benzofurans and benzothiophenes, methods of making and methods of use as integrin antagonists VCAM1, ITGB1, ITGB7 MPO 4141/4885ESR2 82/4885NPC1 3703/4885
US-20050209225-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 MPO 3730/4885ESR2 486/4885NPC1 3329/4885
US-20020169200-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGAL, ITGA5 MPO 4041/4885ESR2 690/4885NPC1 3833/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL MPO 3136/4885ESR2 2612/4885NPC1 1262/4885

“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.