SCHEMBL664313

SCHEMBL664313

O=C1CCC(OCc2ccccc2)CCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
DPP4 P27487 1/20 0.43
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSK P43235 2/20 0.41

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
SCHEMBL21004783 0.86 SIGMAR1 (0.43) SIGMAR1OPRM1OPRL1DPP4PSEN1
SCHEMBL416422 0.80 OPRM1 (0.50) SIGMAR1OPRM1OPRL1DPP4PSEN1
SCHEMBL19041070 0.79 SIGMAR1 (0.42) SIGMAR1OPRM1OPRL1DPP4PSEN1
SCHEMBL31248144 0.79 OPRM1 (0.51) SIGMAR1OPRM1OPRL1DPP4TMEM97
SCHEMBL15299993 0.78 PSEN1 (0.47) SIGMAR1OPRM1OPRL1DPP4PSEN1
Ethylene SCHEMBL7936439 0.78 OPRM1 (0.48) SIGMAR1OPRM1OPRL1DPP4PSEN1
SCHEMBL665165 0.77 LMNA (0.45) CTSLCTSBCTSKNPC1ALDH1A1
SCHEMBL8033788 0.76 HRH1 (0.47) CARM1PRMT6CTSLCTSBCTSK
SCHEMBL6469380 0.76 OPRM1 (0.59) SIGMAR1OPRM1OPRL1DPP4TMEM97
SCHEMBL27209463 0.76 SLC6A2 (0.44) SIGMAR1OPRM1OPRL1DPP4PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368183-A1 Macrocyclic Compounds Having ENT1 Inhibiting Activity iTeos Belgium SA (BE) 2024-11-07 US disclosed
EP-4413004-A1 MACROCYCLIC COMPOUNDS HAVING ENT1 INHIBITING ACTIVITY iTeos Belgium SA (BE) 2024-08-14 EP disclosed
US-11690380-B2 Antimicrobial guanidinium and thiouronium functionalized polymers CORAL BAY II, LLC (US) 2023-07-04 US disclosed
US-11690380-B2 Antimicrobial guanidinium and thiouronium functionalized polymers CORAL BAY II, LLC (US) 2023-07-04 US disclosed
WO-2023059739-A1 MACROCYCLIC COMPOUNDS HAVING ENT1 INHIBITING ACTIVITY iTeos Belgium SA (US) 2023-04-13 WO disclosed
US-11180608-B2 Biodegradable polymers, complexes thereof for gene therapeutics and drug delivery, and methods related thereto INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2021-11-23 US disclosed
US-11180608-B2 Biodegradable polymers, complexes thereof for gene therapeutics and drug delivery, and methods related thereto INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2021-11-23 US disclosed
US-11149114-B2 Biodegradable polymers, complexes thereof for gene therapeutics and drug delivery, and methods related thereto INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2021-10-19 US disclosed
US-10980234-B2 Antimicrobial guanidinium and thiouronium functionalized polymers CORAL BAY II, LLC (US) 2021-04-20 US disclosed
US-10779539-B2 Antimicrobial guanidinium and thiouronium functionalized polymers CORAL BAY II, LLC. (US) 2020-09-22 US disclosed
US-20110150977-A1 ANTIMICROBIAL POLYMERS AND METHODS OF MANUFACTURE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-06-23 US disclosed
US-20110150977-A1 ANTIMICROBIAL POLYMERS AND METHODS OF MANUFACTURE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-06-23 US disclosed
US-20110151566-A1 BIODEGRADABLE POLYMERS, COMPLEXES THEREOF FOR GENE THERAPEUTICS AND DRUG DELIVERY, AND METHODS RELATED THERETO AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-06-23 US disclosed
US-20110150977-A1 ANTIMICROBIAL POLYMERS AND METHODS OF MANUFACTURE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-06-23 US disclosed
US-20110152167-A1 BIODEGRADABLE BLOCK POLYMERS FOR DRUG DELIVERY, AND METHODS RELATED THERETO AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-06-23 US disclosed
US-20100305281-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-12-02 US disclosed
US-20100305281-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-12-02 US disclosed
US-20100305300-A1 Method of Ring-Opening Polymerization, and Related Compositions and Articles INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-12-02 US disclosed
US-20100305300-A1 Method of Ring-Opening Polymerization, and Related Compositions and Articles INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-12-02 US disclosed
EP-1732621-B1 PHOSPHOLIPID AND NON-FOULING COATING COMPOSITIONS ABBOTT CARDIOVASCULAR SYSTEMS (US) 2009-12-09 EP 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 (9 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-20240368183-A1 Macrocyclic Compounds Having ENT1 Inhibiting Activity ENTPD5, ENTPD1, ENTPD8 SIGMAR1 4680/4885OPRM1 3691/4885OPRL1 2197/4885
US-11149114-B2 Biodegradable polymers, complexes thereof for gene therapeutics and drug delivery, and methods related thereto DCLRE1A, ODC1, MRTO4 SIGMAR1 2182/4885OPRM1 1156/4885OPRL1 991/4885
US-11180608-B2 Biodegradable polymers, complexes thereof for gene therapeutics and drug delivery, and methods related thereto DCLRE1A, ODC1, MRTO4 SIGMAR1 2182/4885OPRM1 1156/4885OPRL1 991/4885
US-10980234-B2 Antimicrobial guanidinium and thiouronium functionalized polymers PUF60, CAPG, GMPS SIGMAR1 501/4885OPRM1 2219/4885OPRL1 4231/4885
US-11690380-B2 Antimicrobial guanidinium and thiouronium functionalized polymers PUF60, CAPG, GMPS SIGMAR1 501/4885OPRM1 2219/4885OPRL1 4231/4885
US-20110150977-A1 ANTIMICROBIAL POLYMERS AND METHODS OF MANUFACTURE THEREOF MLEC, NOD2, PAM SIGMAR1 1277/4885OPRM1 1369/4885OPRL1 1958/4885
US-20100305281-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF PFAS, PAM, PCNA SIGMAR1 4414/4885OPRM1 3237/4885OPRL1 3379/4885
US-10779539-B2 Antimicrobial guanidinium and thiouronium functionalized polymers PUF60, CAPG, GMPS SIGMAR1 501/4885OPRM1 2219/4885OPRL1 4231/4885
US-20110152167-A1 BIODEGRADABLE BLOCK POLYMERS FOR DRUG DELIVERY, AND METHODS RELATED THERETO SAMM50, ADRM1, UFM1 SIGMAR1 228/4885OPRM1 71/4885OPRL1 2067/4885

“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.