SCHEMBL2308345

SCHEMBL2308345

C[N+](C)(C)CC(CC(=O)[O-])OCc1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
CYP1A2 P05177 1/20 0.43
HRH1 P35367 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
CYP2C19 P33261 2/20 0.42
RECQL P46063 1/20 0.42
NAPRT Q6XQN6 1/20 0.39
NAMPT P43490 1/20 0.39
ADAMTS4 O75173 1/20 0.39
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
SLC25A20 O43772 3/20 0.37
TP53 P04637 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
TBXAS1 P24557 2/20 0.37

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
SCHEMBL9634318 0.84 MEN1 (0.50) KMT2AMEN1CYP1A2HRH1CYP2C19
SCHEMBL2201976 0.84 MEN1 (0.50) KMT2AMEN1CYP1A2HRH1CYP2C19
Perchlorate SCHEMBL9633990 0.82 MEN1 (0.46) KMT2AMEN1CYP1A2HRH1CYP2C19
Perchlorate SCHEMBL9634002 0.82 MEN1 (0.46) KMT2AMEN1CYP1A2HRH1CYP2C19
SCHEMBL17303194 0.80 MEN1 (0.46) KMT2AMEN1CYP1A2HRH1CYP2C19
SCHEMBL23531492 0.78 KMT2A (0.50) KMT2AMEN1CYP1A2HRH1CYP2C19
SCHEMBL4462543 0.78 KMT2A (0.50) KMT2AMEN1CYP1A2HRH1CYP2C19
SCHEMBL8184237 0.75 MEN1 (0.47) KMT2AMEN1CYP1A2HRH1CYP2C19
SCHEMBL5384452 0.73 SMN1; SMN2 (0.47) KMT2AMEN1CYP1A2HRH1CHRNB2
SCHEMBL28314908 0.73 LMNA (0.49) KMT2AMEN1CYP1A2CYP2C19TP53

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2348865-B1 BETA-HYDROXY-GAMMA-AMINOPHOSPHONATES AND METHODS FOR THE PREPARATION AND USE THEREOF NUCITEC SA DE CV (MX) 2015-07-15 EP disclosed
US-8536362-B2 β-hydroxy-γ-aminophosphonates and methods for the preparation and use thereof NUCITEC S.A. DE C.V. (MX) 2013-09-17 US disclosed
US-20130079308-A1 Beta-Hydroxy-Gamma-Aminophosphonates and Methods for the Preparation and Use Thereof NUCITEC S.A. DE C.V. (MX) 2013-03-28 US disclosed
US-8178515-B2 β-hydroxy-γ-aminophosphonates and methods for the preparation and use thereof NUCITEC S.A. DE C.V. (MX) 2012-05-15 US disclosed
EP-2348865-A2 BETA-HYDROXY-GAMMA-AMINOPHOSPHONATES AND METHODS FOR THE PREPARATION AND USE THEREOF Nucitec S.A. de C.V. (MX) 2011-08-03 EP disclosed
US-7777071-B2 Production of carnitine conjugate intermediates SSV THERAPEUTICS, INC. (US) 2010-08-17 US disclosed
US-7718696-B2 Methods of treating diabetes using carnitine conjugates as dual prodrugs SSV THERAPEUTICS, INC. (US) 2010-05-18 US disclosed
WO-2010041144-A2 BETA-HYDROXY-GAMMA-AMINOPHOSPHONATES AND METHODS FOR THE PREPARATION AND USE THEREOF NUCITEC S.A. DE C.V. (MX) 2010-04-15 WO disclosed
US-20100087400-A1 Beta-Hydroxy-Gamma-Aminophosphonates and Methods for the Preparation and Use Thereof NUCITEC S.A. DE C.V. (MX) 2010-04-08 US disclosed
US-20090012160-A1 Carnitine Conjugates As Dual Prodrugs, Methods Of Production And Uses Thereof SSV THERAPEUTICS, INC. 2009-01-08 US disclosed
US-20080188444-A1 Methods of treating various diseases using carnitine conjugates as dual prodrugs SSV THERAPEUTICS, INC. (US) 2008-08-07 US disclosed
WO-2008018877-A1 CARNITINE CONJUGATES AS DUAL PRODRUGS, METHODS OF PRODUCTION AND USES THEREOF SSV THERAPEUTICS, INC. (US) 2008-02-14 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 (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-20090012160-A1 Carnitine Conjugates As Dual Prodrugs, Methods Of Production And Uses Thereof CPT1B, CRAT, CPT2 KMT2A 1288/4885MEN1 1284/4885CYP1A2 349/4885
US-20080188444-A1 Methods of treating various diseases using carnitine conjugates as dual prodrugs CPT1B, CRAT, SLC25A20 KMT2A 3407/4885MEN1 2512/4885CYP1A2 675/4885
US-20130079308-A1 Beta-Hydroxy-Gamma-Aminophosphonates and Methods for the Preparation and Use Thereof CPT1A, ACAT1, ABAT KMT2A 1756/4885MEN1 3116/4885CYP1A2 2151/4885
US-20100087400-A1 Beta-Hydroxy-Gamma-Aminophosphonates and Methods for the Preparation and Use Thereof CPT1A, ACAT1, ABAT KMT2A 1756/4885MEN1 3116/4885CYP1A2 2151/4885

“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.