SCHEMBL2016261

SCHEMBL2016261

OCCC1CN(Cc2ccccc2)CCN1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
SIGMAR1 Q99720 3/20 0.50
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
GBA1 P04062 1/20 0.44
FUCA1 P04066 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL2016258 1.00 LTA4H (0.57) LTA4HSIGMAR1ALDH1A1LMNAPOLB
SCHEMBL2019556 1.00 LTA4H (0.57) LTA4HSIGMAR1ALDH1A1LMNAPOLB
SCHEMBL16439718 0.92 LTA4H (0.55) LTA4HSIGMAR1ALDH1A1LMNAGBA1
SCHEMBL19878947 0.92 ALDH1A1 (0.51) LTA4HSIGMAR1ALDH1A1LMNAPOLB
SCHEMBL14033540 0.92 LTA4H (0.55) LTA4HSIGMAR1ALDH1A1LMNAGBA1
SCHEMBL19878948 0.92 ALDH1A1 (0.51) LTA4HSIGMAR1ALDH1A1LMNAPOLB
SCHEMBL2062715 0.88 LTA4H (0.60) LTA4HSIGMAR1ALDH1A1GBA1FUCA1
SCHEMBL28142979 0.88 LTA4H (0.60) LTA4HSIGMAR1ALDH1A1GBA1FUCA1
SCHEMBL692066 0.88 LTA4H (0.60) LTA4HSIGMAR1ALDH1A1GBA1FUCA1
SCHEMBL3495379 0.87 LTA4H (0.59) LTA4HSIGMAR1ALDH1A1CYP1A2CYP3A4

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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165865-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2023-06-01 US disclosed
EP-3898632-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS Janssen Pharmaceutica NV (BE) 2021-10-27 EP disclosed
CN-113195499-A Heteroaryl dihydropyrimidine derivatives and methods for treating hepatitis b infection 詹森药业有限公司 2021-07-30 CN disclosed
WO-2021118877-A1 KRAS G12C INHIBITORS ELI LILLY AND COMPANY (US) 2021-06-17 WO disclosed
WO-2020255016-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND DIHYDROPYRIMIDINE DERIVATIVES AS CAPSID ASSEMBLY MODULATORS Janssen Sciences Ireland Unlimited Company (IE) 2020-12-24 WO disclosed
WO-2020125730-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-25 WO disclosed
EP-3636651-A1 HEXAHYDROPYRAZINOBENZ- OR -PYRIDO-OXAZEPINES CARRYING AN OXYGEN-CONTAINING SUBSTITUENT AND USE THEREOF IN THE TREATMENT OF 5-HT2C-DEPENDENT DISORDERS AbbVie Deutschland GmbH & Co. KG (DE) 2020-04-15 EP disclosed
WO-2019215203-A1 TETRACYCLIC HETEROARYL COMPOUNDS ASTRAZENECA AB (SE) 2019-11-14 WO disclosed
US-20180339996-A1 HEXAHYDROPYRAZINOBENZ- OR -PYRIDO-OXAZEPINES CARRYING AN OXYGEN-CONTAINING SUBSTITUENT AND USE THEREOF IN THE TREATMENT OF 5-HT2C-DEPENDENT DISORDERS AbbVie Deutschland GmbH & Co. KG (DE) 2018-11-29 US disclosed
EP-3380483-A1 HEXAHYDROPYRAZINOBENZ- OR -PYRIDO-OXAZEPINES CARRYING AN OXYGEN-CONTAINING SUBSTITUENT AND USE THEREOF IN THE TREATMENT OF 5-HT2C-DEPENDENT DISORDERS Abbvie Deutschland GmbH & Co. KG (DE) 2018-10-03 EP disclosed
US-20050182068-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues HUTCHISON ALAN (US) 2005-08-18 US disclosed
WO-2005061510-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
US-20050065162-A1 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION 2005-03-24 US disclosed
EP-1492794-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2005-01-05 EP disclosed
US-20040242575-A1 N-aroyl piperazine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2004-12-02 US disclosed
EP-1434583-A1 N-AROYL PIPERAZINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-07-07 EP disclosed
EP-1389189-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2004-02-18 EP disclosed
WO-2003082877-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2003-10-09 WO disclosed
WO-2003032991-A1 N-AROYL PIPERAZINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-04-24 WO disclosed
WO-2002094799-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES NEUROGEN CORPORATION (US) 2002-11-28 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 (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-20040242575-A1 N-aroyl piperazine derivatives as orexin receptor antagonists HCRTR2, HCRTR1, CNR1 LTA4H 1884/4885SIGMAR1 54/4885ALDH1A1 883/4885
US-20180339996-A1 HEXAHYDROPYRAZINOBENZ- OR -PYRIDO-OXAZEPINES CARRYING AN OXYGEN-CONTAINING SUBSTITUENT AND USE THEREOF IN THE TREATMENT OF 5-HT2C-DEPENDENT DISORDERS HTR2C, HTR2A, HTR5A LTA4H 330/4885SIGMAR1 259/4885ALDH1A1 821/4885
US-20230165865-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL LTA4H 2209/4885SIGMAR1 4378/4885ALDH1A1 1615/4885
US-20050065162-A1 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 1-BENZYL-4-ARYL PIPERAZINE ANALOGUES MCHR1, MCHR2, MC1R LTA4H 2242/4885SIGMAR1 145/4885ALDH1A1 1263/4885
US-20050182068-A1 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues MCHR1, MCHR2, MC1R LTA4H 2242/4885SIGMAR1 145/4885ALDH1A1 1263/4885

“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.