SCHEMBL3844181

SCHEMBL3844181

CCOC(OCC)P(=O)(CCCN)OCC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
GABBR2 O75899 3/20 0.38
GABBR1 Q9UBS5 3/20 0.38
GABRR1 P24046 1/20 0.37
TSHR P16473 2/20 0.36
THPO P40225 1/20 0.36
LMNA P02545 2/20 0.35
BLM P54132 2/20 0.35
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
PMP22 Q01453 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9337849 0.88 CYP1A2 (0.47) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL9339985 0.86 CYP1A2 (0.46) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL9062812 0.85 MEN1 (0.42) CYP1A2MEN1KMT2ATSHRCYP3A4
SCHEMBL9340007 0.82 CYP1A2 (0.45) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL22034601 0.81 MEN1 (0.40) CYP1A2MEN1KMT2ATSHRL3MBTL1
SCHEMBL8971372 0.79 CYP1A2 (0.44) CYP1A2MEN1KMT2AGABBR2GABBR1
SCHEMBL10586491 0.79 MEN1 (0.41) CYP1A2MEN1KMT2AL3MBTL1
SCHEMBL22034577 0.79 BBOX1 (0.41) CYP1A2MEN1KMT2ATSHRLMNA
SCHEMBL9144079 0.78 MEN1 (0.40) CYP1A2MEN1KMT2ATSHRLMNA
SCHEMBL195698 0.76 CYP1A2 (1.00) CYP1A2MEN1KMT2AGABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575964-B1 N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2009-11-11 EP disclosed
US-7351725-B2 N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists MERCK & CO., INC. (US) 2008-04-01 US disclosed
US-20050070506-A1 Selective s1p1/edg1 receptor agonists DOHERTY GEORGE A (US) 2005-03-31 US disclosed
US-20050020837-A1 N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as edg receptor agonists MERCK SHARP & DOHME CORP. 2005-01-27 US disclosed
EP-1469863-A2 SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-10-27 EP disclosed
US-20040058894-A1 Selective S1P1/Edg1 receptor agonists DOHERTY GEORGE A (US) 2004-03-25 US disclosed
WO-2003061567-A2 SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-07-31 WO disclosed
EP-0767174-A1 Novel aminoalkanephosphinic acids and their salts CIBA-GEIGY AG (CH) 1997-04-09 EP disclosed
US-5545631-A GAMMA-AMINOBUTYRIC ACID ANTAGONIST; TREATS PETIT-MAL TYPE EPILEPSIES CIBA-GEIGY CORPORATION (US) 1996-08-13 US disclosed
US-5500418-A ANTIEPILEPTIC CIBA-GEIGY CORPORATION (US) 1996-03-19 US disclosed
US-5051524-A Treatment of a phosphinic acid with an anhydrous protic medium CIBA-GEIGY CORPORATION (US) 1991-09-24 US disclosed
US-5013863-A Learning enhancement CIBA-GEIGY CORPORATION (US) 1991-05-07 US disclosed
US-5004826-A Chemical Intermediates For Muscle Relaxants, Muscle Stimulants, Analgesics, Anticonvulsants, Antidepressants, Nootropics, And Drugs For Reducing Drug Withdrawal Symptoms CIBA-GEIGY CORPORATION (US) 1991-04-02 US disclosed
EP-0181833-B1 SUBSTITUTED PROPANE-PHOSPHONOUS ACID COMPOUNDS CIBA-GEIGY AG (CH) 1990-05-02 EP disclosed
US-4908465-A Ethyl phenyl-3-nitropropyl(diethoxymethyl)phosphinate derivatives CIBA-GEIGY CORPORATION (US) 1990-03-13 US disclosed
EP-0319479-A2 Substituted propane-phosphinic acid compounds CIBA-GEIGY AG (CH) 1989-06-07 EP disclosed
EP-0319482-A2 Novel substituted propane phosphinic acid compounds CIBA-GEIGY AG (CH) 1989-06-07 EP disclosed
US-4772738-A MUSCLE RELAXANTS, ANALGESICS, ANTICONVULSANTS, ANTIDEPRESSANT CIBA-GEIGY CORPORATION (US) 1988-09-20 US disclosed
US-4656298-A MUSCLE RELAXANTS, STIMULANTS, ANALGESICS, ANTICONVULSANTS, ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1987-04-07 US disclosed
EP-0181833-A1 Substituted propane-phosphonous acid compounds CIBA-GEIGY AG (CH) 1986-05-21 EP 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 (3 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-20050070506-A1 Selective s1p1/edg1 receptor agonists S1PR1, S1PR3, S1PR5 CYP1A2 2795/4885MEN1 1123/4885KMT2A 2325/4885
US-20040058894-A1 Selective S1P1/Edg1 receptor agonists S1PR1, S1PR3, S1PR2 CYP1A2 3373/4885MEN1 838/4885KMT2A 2323/4885
US-20050020837-A1 N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as edg receptor agonists EDNRA, ADGRE5, GPR65 CYP1A2 2039/4885MEN1 2395/4885KMT2A 3548/4885

“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.