SCHEMBL16625965

SCHEMBL16625965

CC(C)CCN1CC[C@@H](F)C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.35
ARG2 P78540 1/20 0.35
DPP4 P27487 2/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
PIK3CD O00329 1/20 0.32
GBA1 P04062 1/20 0.32
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 0.32
OPRL1 P41146 1/20 0.32
DRD2 P14416 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9974271 1.00 ARG1 (0.35) ARG1ARG2DPP4DPP8DPP9
SCHEMBL16625962 1.00 ARG1 (0.35) ARG1ARG2DPP4DPP8DPP9
SCHEMBL14131190 0.90 ROCK2 (0.37) DPP4DPP8DPP9SIGMAR1HRH3
SCHEMBL13519612 0.89 ARG1 (0.38) ARG1ARG2SIGMAR1NOS3NOS1
SCHEMBL13171644 0.84 GBA1 (0.35) SIGMAR1PIK3CDGBA1
SCHEMBL16625897 0.82 ARG1 (0.35) ARG1ARG2NOS3NOS1NOS2
SCHEMBL18575434 0.81 GNAI3 (0.40) ARG1ARG2SIGMAR1NOS3NOS1
SCHEMBL23103231 0.80 PIK3CD (0.47) DPP4DPP8DPP9HRH3PIK3CD
SCHEMBL12041121 0.80 PIK3CD (0.47) DPP4DPP8DPP9HRH3PIK3CD
SCHEMBL23103243 0.80 PIK3CD (0.47) DPP4DPP8DPP9HRH3PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265092-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE LIEBER INSTITUTE, INC. 2023-08-24 US disclosed
WO-2022087634-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS CLOTHO, INC. (US) 2022-04-28 WO disclosed
WO-2015050472-A1 FUSED INDOLE COMPOUNDS AND METHODS OF USING SAME OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOST'YU "PANACELA LABS" (RU) 2015-04-09 WO disclosed
WO-2015050471-A1 CARBAZOLE COMPOUNDS AND METHODS OF USING SAME OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOST'YU "PANACELA LABS" (RU) 2015-04-09 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-20230265092-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE POLR2E, POLR2H, POLRMT ARG1 4730/4885ARG2 4607/4885DPP4 1854/4885

“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.