SCHEMBL21169298

SCHEMBL21169298

CC(=O)N1CCNC[C@H]1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
CHRNA7 P36544 1/20 0.32
PARP1 P09874 1/20 0.30
DPP4 P27487 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL18997579 1.00 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4HTR2A
SCHEMBL190726 0.85 PARP1 (0.33) PARP1DPP4
SCHEMBL13472131 0.84 HTR2A (0.36) CHRNB2CHRNB4CHRNA3CHRNA4HTR2A
Hydrochloric Acid SCHEMBL1195042 0.84 PARP1 (0.32) PARP1
SCHEMBL4206630 0.84 F2 (0.33) PARP1DPP4
SCHEMBL17977170 0.81 TSHR (0.39) CHRNB2CHRNB4CHRNA3CHRNA4PARP1
SCHEMBL18035417 0.80 PARP1 (0.33) PARP1DPP4
SCHEMBL5077316 0.80 PARP1 (0.45) PARP1
SCHEMBL4311993 0.80 PARP1 (0.45) PARP1
SCHEMBL18997576 0.78 PARP1 (0.34) PARP1POLB

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-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 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-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 CHRNB2 4668/4885CHRNB4 4632/4885CHRNA3 4806/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 CHRNB2 4681/4885CHRNB4 4670/4885CHRNA3 4779/4885

“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.