SCHEMBL5578670

SCHEMBL5578670

O=C(N1CCCCC1)N1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.49
OPRK1 P41145 2/20 0.49
OPRL1 P41146 2/20 0.49
SIGMAR1 Q99720 5/20 0.38
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
KCNH2 Q12809 3/20 0.38
CTSS P25774 1/20 0.38
OPRD1 P41143 1/20 0.37

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
SCHEMBL5578678 0.99 OPRM1 (0.48) OPRM1OPRK1OPRL1SIGMAR1DRD2
SCHEMBL5578435 0.90 CTSS (0.43) OPRM1OPRK1OPRL1KCNH2CTSS
SCHEMBL5578609 0.86 OPRM1 (0.52) OPRM1OPRK1OPRL1SIGMAR1DRD2
SCHEMBL13000278 0.85 NOTUM (0.50) OPRM1OPRK1OPRL1SIGMAR1DRD2
SCHEMBL5579084 0.84 OPRM1 (0.48) OPRM1OPRK1OPRL1SIGMAR1DRD2
SCHEMBL12084839 0.84 OPRL1 (0.58) OPRM1OPRK1OPRL1SIGMAR1CTSS
SCHEMBL5578762 0.84 OPRM1 (0.50) OPRM1OPRK1OPRL1SIGMAR1DRD2
SCHEMBL12084309 0.83 OPRL1 (0.56) OPRM1OPRK1OPRL1SIGMAR1OPRD1
SCHEMBL5578544 0.83 SIGMAR1 (0.47) OPRM1OPRK1OPRL1SIGMAR1DRD2
SCHEMBL5579000 0.83 OPRM1 (0.49) OPRM1OPRK1OPRL1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US claimed
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO claimed
US-20020077456-A1 Process for producing an amide compound NIHON MEDI-PHYSICS COMPANY, LIMITED (JP) 2002-06-20 US claimed
US-6403056-B1 ADMINISTERING AGENT; APPLYING ULTRASONIC FREQUENCY IMARX THERAPEUTICS, INC. 2002-06-11 US claimed
US-11213598-B2 Labeled probe and methods of use THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-01-04 US disclosed
US-20180369409-A1 TUMOR-SPECIFIC PAYLOAD DELIVERY AND IMMUNE ACTIVATION USING A HUMAN ANTIBODY TARGETING A HIGHLY SPECIFIC TUMOR CELL SURFACE ANTIGEN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-12-27 US disclosed
US-20180353628-A1 Labeled Probe and Methods of Use THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2018-12-13 US disclosed
US-20140010757-A1 IMAGING METHODS USING ENGINEERED INTEGRIN BINDING PEPTIDES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-01-09 US disclosed
US-20070259815-A1 Albumin fusion proteins HUMAN GENOME SCIENCES, INC. (US) 2007-11-08 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO disclosed
US-6723318-B1 EXTRACORPOREAL REMOVAL OF CIRCULATING TOXIC AGENTS MITRA MEDICAL TECHNOLOGY AB (SE) 2004-04-20 US disclosed
US-20030120204-A1 Oxygen delivery agents and uses for the same CEREVAST THERAPEUTICS, INC. 2003-06-26 US disclosed
US-6548047-B1 Using lecithin, cephalin filled with gases; scanning; medical diagnosis BRISTOL-MYERS SQUIBB MEDICAL IMAGING, INC. 2003-04-15 US disclosed
US-6537246-B1 Blood substitutes comprising a fluorinated gas and a stabilizing aqueous solution containing lipids; the perfluorocarbon compounds, perfluorooctylbromide and perfluorohexane, are preferred IMARX THERAPEUTICS, INC. 2003-03-25 US disclosed
US-6416740-B1 DELIVERY STABILIZED MICROSPHERES COMPRISED OF PHOSPHATIDYL-CHOLINES, PHOSPHATIDYLETHANOLAMINES, AND PHOSPHATIDIC ACIDS AND CONTAINING THERAPEUTIC AGENTS (SUCH AS TAXOL), AND RUPTURING THE SPHERES WITH ULTRASOUND; TARGETED DELIVERY BRISTOL-MYERS SQUIBB MEDICAL IMAGING, INC. 2002-07-09 US disclosed
US-6403056-B1 ADMINISTERING AGENT; APPLYING ULTRASONIC FREQUENCY IMARX THERAPEUTICS, INC. 2002-06-11 US disclosed
US-20010031243-A1 Novel methods of ultrasound treatment using gas or gaseous precursor-filled compositions IMARX PHARMACEUTICAL CORP. 2001-10-18 US disclosed
US-20010018072-A1 Solid matrix therapeutic compositions IMARX THERAPEUTICS, INC. 2001-08-30 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 (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-20010031243-A1 Novel methods of ultrasound treatment using gas or gaseous precursor-filled compositions SON, HYOU1, GCG OPRM1 1371/4885OPRK1 2776/4885OPRL1 1820/4885
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof REN, AVPR2, RECQL OPRM1 630/4885OPRK1 131/4885OPRL1 240/4885
US-20020077456-A1 Process for producing an amide compound NAAA, ACMSD, CPS1 OPRM1 2981/4885OPRK1 2843/4885OPRL1 2614/4885
US-20010018072-A1 Solid matrix therapeutic compositions MMP7, MMP1, MMP17 OPRM1 3187/4885OPRK1 3173/4885OPRL1 2745/4885
US-20180369409-A1 TUMOR-SPECIFIC PAYLOAD DELIVERY AND IMMUNE ACTIVATION USING A HUMAN ANTIBODY TARGETING A HIGHLY SPECIFIC TUMOR CELL SURFACE ANTIGEN ALPP, HLA-A, ALPI OPRM1 4754/4885OPRK1 4776/4885OPRL1 3943/4885

“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.