SCHEMBL5546416

SCHEMBL5546416

NCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.56
DRD2 P14416 2/20 0.56
HTR2A P28223 1/20 0.56
DRD3 P35462 1/20 0.56
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
DRD4 P21917 2/20 0.52
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
CYP2D6 P10635 1/20 0.50
GRM2 Q14416 1/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 2/20 0.48
CA7 P43166 2/20 0.48
HSD17B10 Q99714 1/20 0.48
HTR7 P34969 1/20 0.47
DHFR P00374 1/20 0.47

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
SCHEMBL3201642 0.89 DRD2 (0.59) HTR1ADRD2HTR2ADRD3SLC6A2
SCHEMBL8372631 0.83 HTR1A (0.56) HTR1ADRD2HTR2ADRD3SLC6A2
SCHEMBL2093690 0.83 HTR1A (0.56) HTR1ADRD2HTR2ADRD3SLC6A2
SCHEMBL16672426 0.83 SLC6A2 (0.56) HTR1ADRD2HTR2ADRD3SLC6A2
SCHEMBL13080288 0.83 DRD2 (0.62) HTR1ADRD2HTR2ADRD3SLC6A2
SCHEMBL28650484 0.82 CA12 (0.65) HTR1ADRD2HTR2ADRD3SLC6A2
SCHEMBL3457736 0.81 SIGMAR1 (0.69) HTR1ACYP2D6HTR7
SCHEMBL1307372 0.81 MAPT (0.58) HTR1ADRD2HTR2ADRD3SLC6A2
SCHEMBL2094777 0.81 DRD2 (0.60) HTR1ADRD2HTR2ADRD3SLC6A2
SCHEMBL2056123 0.81 DRD2 (0.60) HTR1ADRD2HTR2ADRD3SLC6A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024233922-A2 PYRIDINE-PIPERAZINE-BASED SCAFFOLDS AS HIGHLY POTENT AND SELECTIVE NEUROLYSIN ACTIVATORS TEXAS TECH UNIVERSITY SYSTEM (US) 2024-11-14 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-0015615-B1 PHENYL PIPERAZINE DERIVATIVES, THEIR PREPARATION AND ANTIAGRESSIVE MEDICINES CONTAINING THEM DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1983-01-12 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 HTR1A 4141/4885DRD2 542/4885HTR2A 4120/4885

“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.