SCHEMBL21059155

SCHEMBL21059155

CCCCCCCC(C)NC(CC(C)(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 1/20 0.44
▸ GPR84 Q9NQS5 5/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ ZDHHC20 Q5W0Z9 1/20 0.42
▸ ZDHHC2 Q9UIJ5 1/20 0.42
▸ ADH1B P00325 1/20 0.41
▸ ADH1C P00326 1/20 0.41
▸ ADH1A P07327 1/20 0.41
▸ ADH4 P08319 1/20 0.41
▸ ADH7 P40394 1/20 0.41
▸ NOD1 Q9Y239 1/20 0.41
▸ GRIK1 P39086 2/20 0.41
▸ GRIK2 Q13002 2/20 0.41
▸ PLA2G2A P14555 2/20 0.39
▸ PLA2G5 P39877 2/20 0.39
▸ FAAH O00519 1/20 0.39
▸ ACE P12821 2/20 0.38

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
SCHEMBL21059233 0.87 ACE2 (0.49) ACE2GPR84FFAR1MAPTLCK
SCHEMBL21059234 0.87 ACE2 (0.49) ACE2GPR84FFAR1MAPTLCK
SCHEMBL7568291 0.85 GPR84 (0.50) ACE2GPR84FFAR1MAPTLCK
SCHEMBL21059256 0.83 NOD1 (0.49) ACE2GPR84FFAR1MAPTLCK
SCHEMBL27502720 0.83 NOD1 (0.53) ACE2GPR84FFAR1MAPTLCK
SCHEMBL21059255 0.83 NOD1 (0.49) ACE2GPR84FFAR1MAPTLCK
SCHEMBL21059134 0.81 PLA2G2A (0.55) ACE2GPR84FFAR1MAPTLCK
SCHEMBL21059133 0.81 PLA2G2A (0.55) ACE2GPR84FFAR1MAPTLCK
SCHEMBL20553469 0.81 ACE2 (0.46) ACE2GPR84FFAR1MAPTLCK
SCHEMBL21292076 0.79 NOD1 (0.49) ACE2GPR84FFAR1PPARDNOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012393-B2 Oxopiperazine derivatives Inthera Bioscience AG (CH) 2024-06-18 — — US disclosed
EP-3724178-B1 1-(PIPERIDINOCARBONYLMETHYL)-2-OXOPIPERAZINE DERIVATIVES FOR TREATING CANCER Inthera Bioscience AG (CH) 2024-05-01 — — EP disclosed
US-20220213057-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2022-07-07 — — US disclosed
US-20200308139-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2020-10-01 — — US disclosed
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 (5 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-20220213057-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 ACE2 432/4885GPR84 985/4885FFAR1 1876/4885
US-10710975-B2 Oxopiperazine derivatives CYP3A5, AQP1, AVPR2 ACE2 432/4885GPR84 985/4885FFAR1 1876/4885
US-20190185449-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 ACE2 432/4885GPR84 985/4885FFAR1 1876/4885
US-20200308139-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 ACE2 432/4885GPR84 985/4885FFAR1 1876/4885
US-12012393-B2 Oxopiperazine derivatives CYP3A5, AQP1, AVPR2 ACE2 432/4885GPR84 985/4885FFAR1 1876/4885

“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.

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