SCHEMBL21606459

SCHEMBL21606459

CC(=O)N(CC(C)C)C1CCNCC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.65
SLC6A2 P23975 19/20 0.48
SLC6A4 P31645 19/20 0.48
SLC6A3 Q01959 16/20 0.48
KCNH2 Q12809 8/20 0.47
OPRK1 P41145 1/20 0.44
CYP2D6 P10635 1/20 0.41

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
Hydrochloric Acid SCHEMBL21597911 0.98 PIK3CD (0.63) PIK3CDSLC6A2SLC6A4SLC6A3KCNH2
Trifluoroacetic Acid SCHEMBL22797789 0.89 PIK3CD (0.54) PIK3CDSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL27707181 0.87 SLC6A2 (0.50) PIK3CDSLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL22797930 0.83 PIK3CD (0.45) PIK3CDSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL297266 0.79 SLC6A4 (0.49) PIK3CDSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL9653066 0.79 SLC6A2 (0.46) PIK3CDSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL19701909 0.79 PIK3CD (1.00) PIK3CDSLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL3740415 0.78 SLC6A4 (0.48) PIK3CDSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4913906 0.78 SLC6A2 (0.42) PIK3CDSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL17043097 0.77 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3KCNH2OPRK1

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-11773090-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2023-10-03 US disclosed
US-20210002271-A1 PHARMACEUTICAL COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2021-01-07 US disclosed
US-10787447-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2020-09-29 US disclosed
WO-2019243851-A1 BRIDGED COMPOUNDS AS AGONISTS OF THE MUSCARINIC M1 AND/OR M4 RECEPTOR HEPTARES THERAPEUTICS LIMITED (GB) 2019-12-26 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 (3 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-11773090-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 PIK3CD 2063/4885SLC6A2 1197/4885SLC6A4 1162/4885
US-20210002271-A1 PHARMACEUTICAL COMPOUNDS CHRM1, CHRM2, CHRM4 PIK3CD 2063/4885SLC6A2 1197/4885SLC6A4 1162/4885
US-10787447-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 PIK3CD 2063/4885SLC6A2 1197/4885SLC6A4 1162/4885

“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.