SCHEMBL5350795

SCHEMBL5350795

COc1c(C=C2CCN(C(=O)OC(C)(C)C)CC2)cc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 1/20 0.41
KCNH2 Q12809 1/20 0.39
ESR2 Q92731 1/20 0.37
NR1H2 P55055 1/20 0.36
GAA P10253 2/20 0.36
MAPK1 P28482 2/20 0.36
HSP90AA1 P07900 1/20 0.36
GRM5 P41594 1/20 0.36
ERN1 O75460 1/20 0.35
MET P08581 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 1/20 0.35
P2RX3 P56373 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5340897 0.88 ERN1 (0.47) MAPTALDH1A1LMNAKCNH2ESR2
SCHEMBL5348720 0.87 TPMT (0.38) MAPTALDH1A1GAAMAPK1HSP90AA1
SCHEMBL3577423 0.79 MAPT (0.46) MAPTALDH1A1LMNAESR2GAA
SCHEMBL7256007 0.78 MAPT (0.41) MAPTALDH1A1LMNAESR2NR1H2
SCHEMBL1869807 0.78 MAPT (0.45) MAPTALDH1A1LMNAKCNH2ESR2
SCHEMBL18970179 0.77 ALDH1A1 (0.45) MAPTALDH1A1LMNAESR2NR1H2
SCHEMBL28465448 0.77 MAPT (0.45) MAPTALDH1A1LMNAKCNH2ESR2
SCHEMBL27042740 0.76 ESR2 (0.49) MAPTALDH1A1LMNAKCNH2ESR2
SCHEMBL30752215 0.76 ESR2 (0.49) MAPTALDH1A1LMNAKCNH2ESR2
SCHEMBL23783040 0.76 STS (0.42) ALDH1A1ESR2NR1H2GRM5GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214674-B2 Heterocyclymethylpiperidines and -piperazines possessing affinity at 5ht-1 type receptors GLAXO GROUP LIMITED (GB) 2007-05-08 US disclosed
US-20050153974-A1 Heterocyclymethylpiperidines and -piperazines possessing affinity at 5ht-1 type receptors GLAXO GROUP LIMITED (GB) 2005-07-14 US disclosed
EP-1480974-A1 HETEROCYCLYLMETHYLPIPERIDINES AND -PIPERAZINES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068771-A1 HETEROCYCLYMETHYLPIPERIDINES AND -PIPERAZINES POSSESSING AFFINITY AT 5HT-1 TYPE RECEPTORS GLAXO GROUP LIMITED (GB) 2003-08-21 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 (1 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-20050153974-A1 Heterocyclymethylpiperidines and -piperazines possessing affinity at 5ht-1 type receptors HTR1A, HTR1D, HTR2C MAPT 4515/4885ALDH1A1 639/4885LMNA 1056/4885

“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.