SCHEMBL3856802

SCHEMBL3856802

CCN[C@@H](CC(N)=O)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.42
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL7034111 1.00 ECE1 (0.42) ECE1PDCD1LG2CD274ITGB2ICAM1
Benzene SCHEMBL28092853 0.94 ECE1 (0.39) ECE1PDCD1LG2CD274ITGB2ICAM1
SCHEMBL88480 0.84 ECE1 (0.46) ECE1PDCD1LG2CD274ITGB2ICAM1
SCHEMBL30406637 0.84 ECE1 (0.46) ECE1PDCD1LG2CD274ITGB2ICAM1
SCHEMBL8450154 0.84 ITGB3 (0.34) CA2
SCHEMBL17773049 0.84 ITGB3 (0.34) CA2
SCHEMBL88481 0.84 ECE1 (0.46) ECE1PDCD1LG2CD274ITGB2ICAM1
Phenol SCHEMBL2640784 0.83 ALDH1A1 (0.40) ITGB2ICAM1ITGAL
Phenol SCHEMBL28162156 0.83 ALDH1A1 (0.40) ITGB2ICAM1ITGAL
Phenol SCHEMBL1847412 0.83 ALDH1A1 (0.40) ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2106279-A2 STATIONARY PHASE GRADIENT CHROMATOGRAPHY Cryobiophysica, Inc. (US) 2009-10-07 EP claimed
US-20080179243-A1 Stationary Phase Gradient Chromatography HIRSH ALLEN 2008-07-31 US claimed
WO-2008086357-A2 STATIONARY PHASE GRADIENT CHROMATOGRAPHY CRYOBIOPHYSICA, INC. (US) 2008-07-17 WO claimed
US-20260137647-A1 COMPOSITIONS AND METHODS FOR TREATING INSOMNIA AXSOME THERAPEUTICS INC (US) 2026-05-21 US disclosed
EP-4743071-A2 DIPHENYLETHYLENE COMPOUNDS AND COMPOSITIONS THEREOF INNOVENE INC. (US) 2026-05-20 EP disclosed
US-20260116901-A1 PSILOCIN DERIVATIVES AS SEROTONERGIC PSYCHEDELIC AGENTS FOR THE TREATMENT OF CNS DISORDERS MINDSET PHARMA INC. (CA) 2026-04-30 US disclosed
US-12606543-B2 Indole derivatives as serotonergic agents useful for the treatment of disorders related thereto MINDSET PHARMA INC. (CA) 2026-04-21 US disclosed
EP-4724066-A1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITORS FOR THE TREATMENT AND PREVENTION OF BRAIN METASTASIS OF A CANCER McMaster University (CA) 2026-04-15 EP disclosed
US-20260092035-A1 INDOLE DERIVATIVES AS SEROTONERGIC AGENTS USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO MINDSET PHARMA INC (CA) 2026-04-02 US disclosed
US-20260083703-A1 INDOLINE DERIVATIVES AS SEROTONERGIC AGENTS USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO MINDSET PHARMA INC (CA) 2026-03-26 US disclosed
US-20260069726-A1 ZWITTERIONIC COMPOUNDS AND USES THEREOF UNIV SASKATCHEWAN (CA) 2026-03-12 US disclosed
CN-102642894-B Drive solute, the positive permeating method driving solution, water treatment facilities and water to process 三星电子株式会社 2016-08-03 CN disclosed
CN-101801421-B Containing launching the compositions of inorganic particle of positron and the application especially for diagnostic procedure in medical science thereof NANOPET PHARMA GMBH (DE) 2016-01-20 CN disclosed
EP-2106279-A2 STATIONARY PHASE GRADIENT CHROMATOGRAPHY Cryobiophysica, Inc. (US) 2009-10-07 EP disclosed
CN-101405019-A Medicine for treating tumor and application thereof UNIV TSINGHUA (CN) 2009-04-08 CN disclosed
US-20080179243-A1 Stationary Phase Gradient Chromatography HIRSH ALLEN 2008-07-31 US disclosed
WO-2008086357-A2 STATIONARY PHASE GRADIENT CHROMATOGRAPHY CRYOBIOPHYSICA, INC. (US) 2008-07-17 WO disclosed
US-20040236091-A1 Translational profiling EISAI INC. 2004-11-25 US disclosed
WO-2002078524-A2 TRANSLATIONAL PROFILING ZYCOS INC. (US) 2002-10-10 WO disclosed
US-6184336-B1 USEFUL AS CHELANTS IN WATER TREATMENT NALCO CHEMICAL COMPANY 2001-02-06 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 (6 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-20260069726-A1 ZWITTERIONIC COMPOUNDS AND USES THEREOF CA13, SLCO2B1, SLCO2A1 ECE1 2974/4885PDCD1LG2 3590/4885CD274 2337/4885
US-20260137647-A1 COMPOSITIONS AND METHODS FOR TREATING INSOMNIA HCRTR1, HCRTR2, CNR1 ECE1 3337/4885PDCD1LG2 4731/4885CD274 4269/4885
US-20260116901-A1 PSILOCIN DERIVATIVES AS SEROTONERGIC PSYCHEDELIC AGENTS FOR THE TREATMENT OF CNS DISORDERS HTR6, CNR1, HTR2C ECE1 4417/4885PDCD1LG2 4513/4885CD274 4660/4885
US-20260092035-A1 INDOLE DERIVATIVES AS SEROTONERGIC AGENTS USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR6, HTR3C, CNR1 ECE1 3323/4885PDCD1LG2 4580/4885CD274 4456/4885
US-12606543-B2 Indole derivatives as serotonergic agents useful for the treatment of disorders related thereto HTR6, CNR1, HTR3C ECE1 3426/4885PDCD1LG2 4480/4885CD274 4656/4885
US-20260083703-A1 INDOLINE DERIVATIVES AS SEROTONERGIC AGENTS USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR6, HTR1A, HTR2C ECE1 1547/4885PDCD1LG2 4692/4885CD274 4694/4885

“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.