SCHEMBL22928809

SCHEMBL22928809

NC1CCN(CC(O)Cc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.63
GRIN3B O60391 2/20 0.63
ADRA1D P25100 2/20 0.63
ADRA1A P35348 2/20 0.63
ADRA1B P35368 2/20 0.63
GRIN1 Q05586 2/20 0.63
GRIN2A Q12879 2/20 0.63
GRIN2B Q13224 2/20 0.63
GRIN2C Q14957 2/20 0.63
GRIN3A Q8TCU5 2/20 0.63
SLC18A3 Q16572 1/20 0.59
SLC6A4 P31645 4/20 0.53
SLC6A3 Q01959 4/20 0.53
SLC6A2 P23975 2/20 0.53
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49

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
SCHEMBL4315940 0.91 GRIN2D (0.56) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL5362237 0.85 GRIN2D (0.67) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL9621424 0.85 SLC6A4 (0.68) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL7498044 0.82 MEN1 (0.50) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL5362231 0.82 GRIN2D (0.57) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL6174349 0.82 SLC6A4 (0.60) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL5967992 0.80 TSHR (0.59) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL8259606 0.79 GRIN2D (0.56) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL20854546 0.78 DRD4 (0.73) DRD2DRD4DRD3
SCHEMBL12473966 0.78 RAD52 (0.56) GRIN2DGRIN3BADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365195-B2 Atypical inhibitors of monoamine transporters; method of making; and use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-06-21 US disclosed
US-20210024523-A1 ATYPICAL INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-01-28 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 (2 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-20210024523-A1 ATYPICAL INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF SLC18A2, SLC6A3, SLC6A4 GRIN2D 102/4885GRIN3B 222/4885ADRA1D 59/4885
US-11365195-B2 Atypical inhibitors of monoamine transporters; method of making; and use thereof SLC18A2, SLC6A3, SLC6A4 GRIN2D 102/4885GRIN3B 222/4885ADRA1D 59/4885

“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.