SCHEMBL427668

SCHEMBL427668

N#Cc1ccc(N2CCOCC2)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.64
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
GAA P10253 1/20 0.58
ALDH3A1 P30838 1/20 0.54
ALDH1A3 P47895 1/20 0.54
PPARG P37231 2/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
AR P10275 1/20 0.47
AKR1C3 P42330 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PRKDC P78527 2/20 0.45
SLC6A9 P48067 2/20 0.45
SLC6A5 Q9Y345 2/20 0.45
LMNA P02545 3/20 0.44

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
SCHEMBL11289375 0.83 SMN1; SMN2 (0.58) MAPK1MAPTSMN1; SMN2GAAALDH3A1
SCHEMBL1857426 0.82 LMNA (0.49) MAPK1MAPTSMN1; SMN2ALDH1A1AR
SCHEMBL1239096 0.82 SLC6A9 (0.58) MAPK1SMN1; SMN2ALDH1A1ARKDM4E
SCHEMBL1859720 0.82 MAPT (0.52) MAPK1MAPTSMN1; SMN2GAAALDH1A1
SCHEMBL9424288 0.82 ALDH1A1 (0.55) MAPK1MAPTSMN1; SMN2GAAALDH1A1
SCHEMBL232730 0.81 ALDH1A1 (0.55) MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL31575883 0.81 ALDH1A1 (0.55) MAPTSMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL709382 0.80 ALDH1A1 (0.54) MAPTSMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL31399315 0.80 DRD2 (0.49) MAPK1ALDH1A1ARKDM4EHPGD
SCHEMBL20181102 0.80 DRD2 (0.49) MAPK1ALDH1A1ARKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 US disclosed
EP-2178874-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS Novartis Ag (CH) 2010-04-28 EP disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 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 (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-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPK1 1216/4885MAPT 3072/4885SMN1; SMN2 3099/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 MAPK1 1216/4885MAPT 3072/4885SMN1; SMN2 3099/4885

“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.