SCHEMBL678984

SCHEMBL678984

O=C(O)CCCNC(=O)c1cccnc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.70
KMT2A Q03164 4/20 0.65
RAB9A P51151 3/20 0.65
MEN1 O00255 3/20 0.65
NPC1 O15118 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
THRB P10828 1/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 1/20 0.61
HPGD P15428 1/20 0.61
CYP1A2 P05177 2/20 0.60
KEAP1 Q14145 1/20 0.60
NFE2L2 Q16236 1/20 0.60
TDP1 Q9NUW8 1/20 0.59
CYP3A4 P08684 1/20 0.58
MAPT P10636 1/20 0.57

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
SCHEMBL29560373 1.00 EPHX2 (0.70) EPHX2KMT2ARAB9AMEN1NPC1
SCHEMBL9830559 0.95 EPHX2 (0.68) EPHX2KMT2ARAB9AMEN1NPC1
SCHEMBL10102744 0.94 CYP2C9 (0.69) EPHX2KMT2ARAB9AMEN1NPC1
SCHEMBL19246323 0.94 CYP2C9 (0.69) EPHX2KMT2ARAB9AMEN1NPC1
SCHEMBL9829860 0.94 CYP2C9 (0.69) EPHX2KMT2ARAB9AMEN1NPC1
SCHEMBL29775260 0.91 RAB9A (0.68) EPHX2KMT2ARAB9AMEN1NPC1
SCHEMBL1520738 0.91 RAB9A (0.68) EPHX2KMT2ARAB9AMEN1NPC1
SCHEMBL9809561 0.89 RAB9A (0.76) EPHX2KMT2ARAB9AMEN1NPC1
SCHEMBL17822214 0.89 EPHX2 (0.75) EPHX2KMT2ARAB9AMEN1NPC1
SCHEMBL14290329 0.88 RAB9A (0.67) EPHX2KMT2ARAB9AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250375429-A1 OBLIGATE PAIRING OF ORTHOSTERIC AND NON-ORTHOSTERIC GABA LIGANDS IN PHARMACEUTICAL FORMULATIONS SMARTER NOT HARDER, INC. (US) 2025-12-11 US claimed
US-20250367206-A1 1-METHYLXANTHINE-BASED BIOACTIVE COMPOSITION AND METHOD OF USE THEREOF Ingenious Ingredients, LP (US) 2025-12-04 US claimed
CN-120025976-A Method for differentiating hematopoietic stem/progenitor cells into granulocytes 苏州血霁生物科技有限公司 2025-05-23 CN claimed
US-20250163379-A1 METHOD FOR DIFFERENTIATING HEMATOPOIETIC STEM/PROGENITOR CELLS INTO NK CELLS HEMACELL BIOTECHNOLOGY INC. (CN) 2025-05-22 US claimed
US-20250019345-A1 NEW CANNABINOID-GABAPENTINOID CONJUGATES AND USES THEREOF LONDON PHARMACEUTICALS AND RESEARCH CORPORATION (CA) 2025-01-16 US claimed
US-12161695-B2 GABA A receptor agonists for treatment of disorders influenced by dysfunction BETA cells DIAMYD MEDICAL AB (SE) 2024-12-10 US claimed
CN-118786209-A Method for differentiating hematopoietic stem/progenitor cells into NK cells 苏州血霁生物科技有限公司 2024-10-15 CN claimed
EP-4430023-A1 NEW CANNABINOID-GABAPENTINOID CONJUGATES AND USES THEREOF London Pharmaceuticals and Research Corporation (CA) 2024-09-18 EP claimed
EP-4376846-A1 BIOACTIVE COMPOSITIONS AND METHODS OF USE THEREOF PX ING, LLC (US) 2024-06-05 EP claimed
EP-4319759-A1 1-METHYLXANTHINE-BASED BIOACTIVE COMPOSITION AND METHOD OF USE THEREOF Ingenious Ingredients, LP (US) 2024-02-14 EP claimed
CN-103610676-A Application of 4-((pyridine-3-carbonyl)-amino)-butyric acid or salt thereof in preparation of medicament for treating male sexual erectile dysfunction disease ZHEJIANG CANDORLY PHARMACEUTICAL CO LTD 2014-03-05 CN claimed
WO-2013168019-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROPATHIC PAIN KANDULA MAHESH (IN) 2013-11-14 WO claimed
EP-1756310-B1 Method for detecting polymorphisms in the ABCB1 gene associated with a lack of response to a CNS-active medicament and medicament comprising an ABCB1 inhibitor for use in the treatment of CNS related diseases. MAX PLANCK GESELLSCHAFT (DE) 2012-12-05 EP claimed
US-20100189819-A1 NEURO-DEGENERATIVE INHIBITOR, NEURO-ENDOCRINE MODULATOR, AND NEURO-CEREBRAL METABOLISM ENHANCER INTRATHERAPIES LLC (US) 2010-07-29 US claimed
EP-2155261-A1 SENSORY FEEDBACK-BASED METHOD FOR DETERMINING THE BIOAVAILABILITY OF ORALLY ADMINISTERED DIETARY SUPPLEMENTS Northern Innovations And Formulations Corp. (CA) 2010-02-24 EP claimed
WO-2008138099-A1 SENSORY FEEDBACK-BASED METHOD FOR DETERMINING THE BIOAVAILABILITY OF ORALLY ADMINISTERED DIETARY SUPPLEMENTS MULTI FORMULATIONS LTD. (CA) 2008-11-20 WO claimed
US-20080276732-A1 INDICATOR FOR ORALLY ADMINISTERED COMPOSITIONS MULTI FORMULATIONS LTD. (CA) 2008-11-13 US claimed
WO-2008100083-A1 A COMPOSITION OF THE INJECTABLE AGENTS FOR TISSUES REPAIRE CONTAINING MESENCHYMAL STEM CELLS AND OPTIMIZED CULTURE MEDIA PROSTEMICS CO., LTD. (KR) 2008-08-21 WO claimed
WO-2004032916-A1 A COMPOSITION COMPRISING SELEGELINE, PROCAINE, VINPOCETINE, TRIMETHYLGLYCINEAN AND A N-GABA INGREDIENT FOR TREATING NEURODEGENERATIVE DISORDERS UNIFUND CORPORATION LIMITED (GB) 2004-04-22 WO claimed
US-20040067986-A1 Neuro-degenerative inhibitor, neuro-endocrine modulator, and neuro-cerebral metabolism enhancer UNIFUND CORPORATION 2004-04-08 US claimed

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-20250019345-A1 NEW CANNABINOID-GABAPENTINOID CONJUGATES AND USES THEREOF CNR2, CNR1, GABRA4 EPHX2 3566/4885KMT2A 2600/4885RAB9A 730/4885

“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.