SCHEMBL506508

SCHEMBL506508

Cc1cccnc1C(C)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
NPC1 O15118 2/20 0.41
PLAU P00749 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
FDPS P14324 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
CYP2A6 P11509 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
IDH1 O75874 1/20 0.37
CYP2D6 P10635 1/20 0.37
HRH1 P35367 1/20 0.37
KCNH2 Q12809 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL29857523 1.00 NOS3 (0.45) NOS3NOS1NOS2NPC1PLAU
SCHEMBL7553930 0.84 NOS3 (0.46) NOS3NOS1NOS2NPC1PLAU
SCHEMBL827728 0.84 NOS3 (0.50) NOS3NOS1NOS2NPC1PLAU
SCHEMBL23343844 0.80 NOS3 (0.46) NOS3NOS1NOS2NPC1PLAU
SCHEMBL30140878 0.78 NOS3 (0.50) NOS3NOS1NOS2NPC1PLAU
SCHEMBL20482609 0.78 NOS3 (0.50) NOS3NOS1NOS2NPC1PLAU
SCHEMBL30853079 0.78 ALDH1A1 (0.42) NPC1KDM4ERAB9AL3MBTL1MAPT
SCHEMBL23747533 0.78 NOS3 (0.50) NOS3NOS1NOS2NPC1PLAU
SCHEMBL24873408 0.78 NOS3 (0.45) NOS3NOS1NOS2NPC1PLAU
SCHEMBL2084135 0.78 NOS3 (0.50) NOS3NOS1NOS2NPC1PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250368625-A1 PIPERAZINES Grünenthal GmbH (DE) 2025-12-04 US disclosed
CN-116099359-B The method comprises the following steps of 6 Multi-stage interface enrichment system and enrichment method of Li isotopes 中国科学院青海盐湖研究所 2023-09-12 CN disclosed
CN-116099359-A The method comprises the following steps of 6 Multi-stage interface enrichment system and enrichment method of Li isotopes 中国科学院青海盐湖研究所 2023-05-12 CN disclosed
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
CN-104313076-A Method for producing methylpyridinyl ethanol through biological catalysis UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-01-28 CN disclosed
CN-104313076-A Method for producing methylpyridinyl ethanol through biological catalysis UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-01-28 CN disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
CN-1934088-A As 5-HT2c6-substituted 2,3,4, 5-tetrahydro-1H-benzo [ d ] receptor agonists]Aza * LILLY CO ELI (US) 2007-03-21 CN disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO disclosed
US-20040209921-A1 CXCR4 chemokine receptor binding comounds ANORMED CORPORATION (CA) 2004-10-21 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 (4 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 NOS3 2783/4885NOS1 3048/4885NOS2 2545/4885
US-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 NOS3 1323/4885NOS1 1421/4885NOS2 1583/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 NOS3 2350/4885NOS1 2606/4885NOS2 2537/4885
US-20250368625-A1 PIPERAZINES SSTR4, SSTR5, SSTR2 NOS3 1037/4885NOS1 1400/4885NOS2 1111/4885

“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.