SCHEMBL429372

SCHEMBL429372

CC(O)N1CCN(c2ccc(Br)cc2C#N)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.47
HSP90AB1 P08238 1/20 0.40
LMNA P02545 3/20 0.40
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR7 P34969 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
AR P10275 1/20 0.37
NPY2R P49146 4/20 0.36
IGF1R P08069 1/20 0.36
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL429182 0.88 DRD4 (0.46) DRD4HSP90AB1LMNAP2RX3P2RX2
SCHEMBL431886 0.80 DRD4 (0.48) DRD4LMNAGAAMAPTHSD17B10
SCHEMBL20156961 0.79 DRD2 (0.49) DRD4HSP90AB1HTR1ADRD2HTR7
SCHEMBL4454407 0.78 AR (0.57) DRD4LMNAMAPTALDH1A1AR
SCHEMBL428461 0.77 LMNA (0.64) DRD4LMNAMAPTALDH1A1MEN1
SCHEMBL1331262 0.77 AR (0.56) DRD4LMNAMAPTALDH1A1MEN1
SCHEMBL16793210 0.77 AR (0.56) DRD4LMNAMAPTALDH1A1MEN1
SCHEMBL21590205 0.77 DRD4 (0.54) DRD4HSP90AB1LMNAGAAMAPT
SCHEMBL16112126 0.77 DRD4 (0.46) DRD4LMNAP2RX3P2RX2GAA
SCHEMBL31448168 0.75 ROCK2 (0.49) DRD4LMNAGAAMAPTHSD17B10

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 5 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-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
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 DRD4 3010/4885HSP90AB1 1656/4885LMNA 3998/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 DRD4 3010/4885HSP90AB1 1656/4885LMNA 3998/4885

“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.