SCHEMBL5566944

SCHEMBL5566944

Cn1ncc2c1Nc1ccccc1N(C(=O)c1ccc(CNC(=O)OC(C)(C)C)c(F)c1)C2

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 19/20 0.65
OXTR P30559 12/20 0.65
AVPR2 P30518 7/20 0.56
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
CHRM3 P20309 1/20 0.51
DRD3 P35462 1/20 0.51
OPRK1 P41145 1/20 0.51
TSPO P30536 1/20 0.42

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
SCHEMBL6024948 0.97 AVPR1A (0.62) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2128605 0.91 AVPR1A (0.56) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL6024950 0.91 AVPR1A (0.56) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2129412 0.90 AVPR1A (0.54) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL6024946 0.90 AVPR1A (0.54) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL18944423 0.86 AVPR1A (0.52) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2128826 0.86 AVPR1A (0.52) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL18917267 0.85 AVPR1A (0.57) AVPR1AOXTRAVPR2CHRM2CHRM4
SCHEMBL2128928 0.85 AVPR1A (0.52) AVPR1AOXTRAVPR2
SCHEMBL5567012 0.84 AVPR1A (0.63) AVPR1AOXTRAVPR2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969587-B2 Detection of nucleic acid heteroduplex molecules by anion-exchange chromatography ADS BIOTEC INC. 2005-11-29 US claimed
US-20070197608-A1 Piperazines as oxytocin agonists FERRING B.V. (NL) 2007-08-23 US disclosed
US-7225079-B2 System and method for automated matched ion polynucleotide chromatography TRANSGENOMIC, INC. (US) 2007-05-29 US disclosed
US-7138518-B1 Liquid chromatographic separation of polynucleotides TRANSGENOMIC, INC. (US) 2006-11-21 US disclosed
US-7135289-B2 Methods and compositions for mutation analysis of polynucleotides by liquid chromatography TRANSGENOMIC, INC. (US) 2006-11-14 US disclosed
US-7125492-B2 Additives for reversed-phase HPLC mobile phases AGILENT TECHNOLOGIES, INC. (US) 2006-10-24 US disclosed
EP-1660501-A2 PIPERAZINES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2006-05-31 EP disclosed
EP-1451350-A4 METHODS, SYSTEMS, AND KITS FOR ANALYSIS OF POLYNUCLEOTIDES TRANSGENOMIC INC (US) 2006-05-10 EP disclosed
WO-2005023812-A2 PIPERAZINES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2005-03-17 WO disclosed
EP-1512687-A1 Piperazines as oxytocin agonists FERRING B.V. (NL) 2005-03-09 EP disclosed
US-6210885-B1 COVALENTLY ATTACHING CHEMICAL TAG TO POLYNUCLEOTIDE, APPLYING TO SEPARATION MEDIUM HAVING NON-POLAR SURFACE, ELUTING TAGGED POLYNUCLEOTIDE FROM SURFACE WITH MOBILE PHASE OF COUNTERION AGENT AND ORGANIC SOLVENT, AND DETECTING POLYNUCLEOTIDE TRANSGENOMIC, INC. 2001-04-03 US disclosed
WO-2001019485-A1 IMPROVED COLUMN FOR DNA SEPARATION BY MATCHED ION POLYNUCLEOTIDE CHROMATOGRAPHY TRANSGENOMIC, INC. (US) 2001-03-22 WO disclosed
WO-2001002418-A1 METHOD AND SYSTEM FOR RNA ANALYSIS BY MATCHED ION POLYNUCLEOTIDE CHROMATOGRAPHY TRANSGENOMIC, INC. (US) 2001-01-11 WO disclosed
EP-1056528-A1 METHOD FOR HIGH RESOLUTION LIQUID CHROMATOGRAPHIC SEPARATION OF POLYNUCLEOTIDES TRANSGENOMIC, Inc. (US) 2000-12-06 EP disclosed
EP-1023463-A1 MODIFYING DOUBLE STRANDED DNA TO ENHANCE SEPARATIONS BY MATCHED ION POLYNUCLEOTIDE CHROMATOGRAPHY TRANSGENOMIC, Inc. (US) 2000-08-02 EP disclosed
US-6066258-A MATCHED ION POLYNUCLEOTIDE CHROMATOGRAPHY. TRANSGENOMIC, INC. (US) 2000-05-23 US disclosed
US-6056877-A APPLYING MIXTURE TO NONPOROUS BEADS WITH HYDROCARBON COATING; CHROMATOGRAPHY TRANSGENOMIC, INC. (US) 2000-05-02 US disclosed
US-6024878-A CHROMATOGRAPHIC METHOD FOR SEPARATING A MIXTURE OF HETERODUPLEX AND HOMODUPLEX DNA MOLECULES UNDER CONDITIONS WHICH SELECTIVELY DENATURE A MUTATION SITE PRESENT IN THE HETERODUPLEX DNA MOLECULE TRANSGENOMIC, INC. (US) 2000-02-15 US disclosed
WO-1999022839-A1 METHOD FOR HIGH RESOLUTION LIQUID CHROMATOGRAPHIC SEPARATION OF POLYNUCLEOTIDES TRANSGENOMIC, INC. (US) 1999-05-14 WO disclosed
WO-1999019514-A1 MODIFYING DOUBLE STRANDED DNA TO ENHANCE SEPARATIONS BY MATCHED ION POLYNUCLEOTIDE CHROMATOGRAPHY TRANSGENOMIC, INC. (US) 1999-04-22 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 (1 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-20070197608-A1 Piperazines as oxytocin agonists OXTR, OPRL1, AVPR2 AVPR1A 6/4885OXTR 1/4885AVPR2 3/4885

“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.