SCHEMBL14664243

SCHEMBL14664243

O=C([O-])CCCn1c(=O)[nH]c2ccccc21.[Rb+]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
MAPK1 P28482 2/20 0.61
HPGD P15428 2/20 0.61
ALDH1A1 P00352 1/20 0.61
MAPT P10636 1/20 0.61
TSHR P16473 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
POLB P06746 1/20 0.57
RAB9A P51151 1/20 0.53
MEN1 O00255 2/20 0.53
CYP1A2 P05177 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HTR7 P34969 4/20 0.51
P2RX7 Q99572 4/20 0.50
MLNR O43193 1/20 0.48
NR1I2 O75469 1/20 0.48

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
SCHEMBL11137640 0.92 LMNA (0.58) LMNAMAPK1HPGDALDH1A1MAPT
SCHEMBL97551 0.85 MAPK1 (0.70) LMNAMAPK1HPGDALDH1A1MAPT
SCHEMBL30530511 0.85 MAPK1 (0.70) LMNAMAPK1HPGDALDH1A1MAPT
SCHEMBL97994 0.84 LMNA (0.62) LMNAMAPK1HPGDALDH1A1MAPT
SCHEMBL30947438 0.83 LMNA (0.78) LMNAMAPK1HPGDALDH1A1MAPT
SCHEMBL27780501 0.81 MAPK1 (0.61) LMNAMAPK1HPGDALDH1A1MAPT
SCHEMBL13240512 0.81 LMNA (0.58) LMNAMAPK1HPGDALDH1A1MAPT
SCHEMBL133515 0.81 LMNA (0.58) LMNAMAPK1HPGDALDH1A1MAPT
SCHEMBL11514674 0.81 LMNA (0.58) LMNAMAPK1HPGDALDH1A1MAPT
SCHEMBL11632907 0.80 LMNA (0.69) LMNAMAPK1HPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629134-B2 Enantioselective synthesis of 6-amino-7-hydroxy-4,5,6,7-tetrahydro-imidazo[4,5,1-jk][1]-benzazepin-2[1H]-one and zilpaterol INTERVET INTERNATIONAL B.V. (NL) 2014-01-14 US disclosed
US-8362006-B2 Processes for making zilpaterol and salts thereof INTERVET INTERNATIONAL B.V. (NL) 2013-01-29 US disclosed
US-20100173892-A1 Enantioselective synthesis of 6-amino-7-hydroxy-4,5,6,7-tetrahydro-imidazo[4,5,1-JK][1]-benzazepin-2[1H]-one and zilpaterol INTERVET INTERNATIONAL B.V. (NL) 2010-07-08 US disclosed
US-20100121050-A1 PROCESSES FOR MAKING ZILPATEROL AND SALTS THEREOF INTERVET INTERNATIONAL B.V. (NL) 2010-05-13 US disclosed
EP-1608627-B1 BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2008-05-07 EP disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 US disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 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 (2 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-20100121050-A1 PROCESSES FOR MAKING ZILPATEROL AND SALTS THEREOF SLC39A11, SLC39A3, ZFR LMNA 1307/4885MAPK1 2812/4885HPGD 1783/4885
US-20100173892-A1 Enantioselective synthesis of 6-amino-7-hydroxy-4,5,6,7-tetrahydro-imidazo[4,5,1-JK][1]-benzazepin-2[1H]-one and zilpaterol KHK, KCNJ2, GRIK1 LMNA 4256/4885MAPK1 897/4885HPGD 1084/4885

“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.