SCHEMBL21131004

SCHEMBL21131004

CC(C)(C)Cc1ncc2n1CCCC2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.39
GRM5 P41594 1/20 0.34
MAPK1 P28482 1/20 0.32
MAPT P10636 1/20 0.31
MC4R P32245 2/20 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
SCHEMBL21672350 0.81 SSTR4 (0.36) SSTR4GRM5MAPK1MAPTMC4R
SCHEMBL11318719 0.77 SSTR4 (0.36) SSTR4GRM5MAPK1MAPT
SCHEMBL11317113 0.77 GRM5 (0.36) SSTR4GRM5MAPK1MAPTMC4R
SCHEMBL22494147 0.77 SSTR4 (0.34) SSTR4GRM5MAPK1MC4R
SCHEMBL14048241 0.75 MAPT (0.35) SSTR4MAPTMC4R
SCHEMBL20434829 0.74 SSTR4 (0.50) SSTR4GRM5MAPK1MAPT
Bromide SCHEMBL11829058 0.73 MC4R (0.32) SSTR4GRM5MC4R
SCHEMBL12857326 0.72 SSTR4 (0.49) SSTR4GRM5MAPK1MAPT
SCHEMBL21941495 0.72 SSTR4 (0.46) SSTR4GRM5MAPK1
SCHEMBL9044124 0.72 SSTR4 (0.32) SSTR4

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-10710975-B2 Oxopiperazine derivatives Inthera Bioscience AG (CH) 2020-07-14 US disclosed
US-20190185449-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2019-06-20 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-10710975-B2 Oxopiperazine derivatives CYP3A5, AQP1, AVPR2 SSTR4 1624/4885GRM5 499/4885MAPK1 2862/4885
US-20190185449-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 SSTR4 1624/4885GRM5 499/4885MAPK1 2862/4885

“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.