SCHEMBL21791920

SCHEMBL21791920

CCCC(C)(CCC)C(=O)N1CCC(O)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
GNAI3 P08754 5/20 0.33
GNAO1 P09471 5/20 0.33
GNAI1 P63096 5/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
LMNA P02545 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL23119119 0.94 GNAI3 (0.36) DPP4HSP90AA1HSP90AB1TDP1GNAI3
SCHEMBL23328075 0.88 GNAI3 (0.40) TDP1GNAI3GNAO1GNAI1LMNA
SCHEMBL24591345 0.78 L3MBTL1 (0.36) TDP1GNAI3GNAO1GNAI1LMNA
SCHEMBL14892058 0.78 RIPK1 (0.44) DPP4HSP90AA1HSP90AB1TDP1CNR1
SCHEMBL21339854 0.78 DPP4 (0.40) DPP4GNAI3GNAO1GNAI1
SCHEMBL9963903 0.77 HSP90AA1 (0.41) DPP4HSP90AA1HSP90AB1LMNA
SCHEMBL24591412 0.76 L3MBTL1 (0.39) TDP1GNAI3GNAO1GNAI1
SCHEMBL22453255 0.75 L3MBTL1 (0.46) TDP1LMNA
SCHEMBL18474665 0.75 L3MBTL1 (0.42) TDP1LMNA
SCHEMBL12452605 0.73 HSP90AA1 (0.40) DPP4HSP90AA1HSP90AB1LMNA

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-11053216-B2 Compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2021-07-06 US disclosed
US-20200071296-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2020-03-05 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-20200071296-A1 Compounds and Methods of Use TGFB2, TGFB1, HDGF DPP4 1732/4885HSP90AA1 315/4885HSP90AB1 55/4885
US-11053216-B2 Compounds and methods of use TGFB2, TGFB1, HDGF DPP4 1732/4885HSP90AA1 315/4885HSP90AB1 55/4885

“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.