SCHEMBL22615151

SCHEMBL22615151

C[C@H]1CN(C(=O)C(=O)O)CCN1C(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.58
HRH3 Q9Y5N1 1/20 0.52
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
AKR1C3 P42330 9/20 0.51
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
GHSR Q92847 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL22615187 1.00 HRH4 (0.58) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL22615152 1.00 HRH4 (0.58) HRH4HRH3POLBSMN1; SMN2AKR1C3
Potassium Ion SCHEMBL29465405 0.91 HRH4 (0.56) HRH4HRH3POLBSMN1; SMN2AKR1C3
Potassium Ion SCHEMBL29465483 0.91 HRH4 (0.56) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL22615154 0.87 HRH4 (0.55) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL29465496 0.87 HRH4 (0.55) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL26835226 0.86 HRH4 (0.58) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL26814589 0.86 HRH4 (0.56) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL22615168 0.86 HRH4 (0.51) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL22615277 0.86 HRH4 (0.51) HRH4HRH3POLBSMN1; SMN2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3962909-B1 NOVEL OXALYL PIPERAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO KG (DE) 2023-10-04 EP disclosed
US-20220227737-A1 NOVEL OXALYL PIPERAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-07-21 US disclosed
WO-2020221811-A1 NOVEL OXALYL PIPERAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-05 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 (1 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-20220227737-A1 NOVEL OXALYL PIPERAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, ZC3HAV1, MAVS HRH4 3609/4885HRH3 3678/4885POLB 53/4885

“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.