SCHEMBL22928907

SCHEMBL22928907

CC(C)(C)OC(=O)NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.61
PARP1 P09874 3/20 0.58
HRH4 Q9H3N8 5/20 0.56
HRH3 Q9Y5N1 1/20 0.54
RBP4 P02753 1/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NAMPT P43490 1/20 0.52
MCL1 Q07820 1/20 0.51

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
SCHEMBL20287859 0.89 HRH4 (0.56) AKR1C3PARP1HRH4HRH3POLB
SCHEMBL30526269 0.89 HRH4 (0.56) AKR1C3PARP1HRH4HRH3POLB
SCHEMBL13548607 0.85 AKR1C3 (0.66) AKR1C3HRH4HRH3RBP4POLB
SCHEMBL29991244 0.81 KMT2A (0.55) PARP1HRH4HRH3
SCHEMBL21235453 0.81 KMT2A (0.55) PARP1HRH4HRH3
SCHEMBL25530389 0.81 KMT2A (0.55) PARP1HRH4HRH3
SCHEMBL22395224 0.81 PARP1 (0.49) AKR1C3PARP1HRH4RBP4
SCHEMBL22395218 0.81 PARP1 (0.49) AKR1C3PARP1HRH4RBP4
SCHEMBL29465410 0.81 HRH4 (0.68) AKR1C3HRH4HRH3POLBSMN1; SMN2
SCHEMBL2353523 0.81 HRH4 (0.68) AKR1C3HRH4HRH3POLBSMN1; SMN2

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 AKR1C3 2252/4885PARP1 2288/4885HRH4 1705/4885
US-11365195-B2 Atypical inhibitors of monoamine transporters; method of making; and use thereof SLC18A2, SLC6A3, SLC6A4 AKR1C3 2252/4885PARP1 2288/4885HRH4 1705/4885

“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.