SCHEMBL22928804

SCHEMBL22928804

CC(C)(C)OC(=O)NC1CCN(Cc2cc3ccccc3[nH]2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.51
KCNA3 P22001 1/20 0.51
CXCR6 O00574 1/20 0.48
PARP1 P09874 3/20 0.48
DRD2 P14416 3/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CRHBP P24387 1/20 0.47
MAPK1 P28482 1/20 0.47
CRHR2 Q13324 1/20 0.47
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL29670060 1.00 HRH4 (0.51) HRH4KCNA3CXCR6PARP1DRD2
SCHEMBL22928907 0.80 AKR1C3 (0.61) HRH4PARP1MCL1
SCHEMBL4117894 0.80 MCHR1 (0.65)
SCHEMBL23964249 0.79 HRH4 (0.60) HRH4PARP1DRD2KMT2AMEN1
SCHEMBL915402 0.79 KMT2A (0.65) KCNA3DRD2KMT2AMEN1L3MBTL1
SCHEMBL7549641 0.75 KCNA3 (0.59) KCNA3DRD2KMT2AMEN1L3MBTL1
SCHEMBL12533621 0.75 SIGMAR1 (0.63) KCNA3DRD2KMT2AALDH1A1L3MBTL1
SCHEMBL555464 0.75 KMT2A (0.64) KCNA3DRD2KMT2AMEN1L3MBTL1
SCHEMBL16203503 0.74 ALDH1A1 (0.53) KCNA3KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL31653778 0.74 KCNA3 (0.48) KCNA3PARP1DRD2KMT2APARP2

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 HRH4 1705/4885KCNA3 1030/4885CXCR6 2264/4885
US-11365195-B2 Atypical inhibitors of monoamine transporters; method of making; and use thereof SLC18A2, SLC6A3, SLC6A4 HRH4 1705/4885KCNA3 1030/4885CXCR6 2264/4885

“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.