SCHEMBL23778489

SCHEMBL23778489

CN(C(=O)OC(C)(C)C)C1(c2cccnc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.41
OPRL1 P41146 5/20 0.41
GPR119 Q8TDV5 2/20 0.40
CYP17A1 P05093 3/20 0.40
CYP19A1 P11511 3/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
HSD11B1 P28845 1/20 0.38
NAMPT P43490 1/20 0.38
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL23778511 0.83 OPRM1 (0.42) OPRM1OPRL1GPR119CYP17A1CYP19A1
SCHEMBL20904051 0.83 OPRM1 (0.59) OPRM1OPRL1
SCHEMBL29047804 0.81 CYP17A1 (0.36) OPRM1OPRL1GPR119CYP17A1CYP19A1
SCHEMBL23778868 0.80 OPRM1 (0.51) OPRM1OPRL1LMNAALDH1A1USP2
SCHEMBL13650562 0.78 OPRM1 (0.39) OPRM1OPRL1GPR119CYP17A1CYP19A1
SCHEMBL9425158 0.77 RAB9A (0.41) GPR119CYP17A1CYP19A1ALDH1A1RAB9A
SCHEMBL22615228 0.76 OPRM1 (0.41) OPRM1OPRL1LMNAALDH1A1SLC6A2
SCHEMBL23778491 0.76 GPR119 (0.37) OPRM1OPRL1GPR119ALDH1A1MAPK1
SCHEMBL3406280 0.75 OPRM1 (0.35) OPRM1OPRL1GPR119CYP17A1CYP19A1
SCHEMBL5643934 0.75 OPRM1 (0.42) OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363686-A1 NOVEL 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-11-17 US disclosed
US-20210355129-A1 NOVEL UREA 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2021-11-18 US disclosed
US-20210355129-A1 NOVEL UREA 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2021-11-18 US disclosed
EP-3873908-A1 NOVEL UREA 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2021-09-08 EP disclosed
EP-3873909-A1 NOVEL 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2021-09-08 EP disclosed
CN-113056467-A 6, 7-dihydro-4H-pyrazolo [1,5-a ] pyrazindole-2-carboxamide active agents against hepatitis b virus HBV 艾库里斯有限及两合公司 2021-06-29 CN disclosed
CN-113039186-A Urea 6, 7-dihydro-4H-pyrazolo [1,5-a ] pyrazine active agents against hepatitis b virus HBV 艾库里斯有限及两合公司 2021-06-25 CN 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-20220363686-A1 NOVEL 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, BRD4 OPRM1 4507/4885OPRL1 4744/4885GPR119 3859/4885
US-20210355129-A1 NOVEL UREA 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, CDKN1A OPRM1 4236/4885OPRL1 4831/4885GPR119 4436/4885

“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.