SCHEMBL6070046

SCHEMBL6070046

COc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccncc2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
MEN1 O00255 3/20 0.60
ALDH1A1 P00352 2/20 0.60
HRH2 P25021 2/20 0.52
HRH1 P35367 2/20 0.52
DRD2 P14416 6/20 0.52
MC4R P32245 1/20 0.51
CALCRL Q16602 1/20 0.51
HTR1A P08908 2/20 0.49
ADRA1A P35348 1/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL6070052 1.00 KMT2A (0.60) KMT2AMEN1ALDH1A1HRH2HRH1
SCHEMBL6708055 0.92 KMT2A (0.69) KMT2AMEN1ALDH1A1HRH2HRH1
SCHEMBL6708057 0.92 KMT2A (0.69) KMT2AMEN1ALDH1A1HRH2HRH1
SCHEMBL6069699 0.90 KMT2A (0.57) KMT2AMEN1ALDH1A1DRD2MC4R
SCHEMBL6069703 0.90 KMT2A (0.57) KMT2AMEN1ALDH1A1DRD2MC4R
SCHEMBL6069737 0.86 KMT2A (0.52) KMT2AMEN1ALDH1A1DRD2MC4R
SCHEMBL6069745 0.86 KMT2A (0.52) KMT2AMEN1ALDH1A1DRD2MC4R
SCHEMBL3961969 0.85 HRH2 (0.57) KMT2AMEN1HRH2HRH1MC4R
SCHEMBL3961973 0.85 HRH2 (0.57) KMT2AMEN1HRH2HRH1MC4R
SCHEMBL13375717 0.83 HRH2 (0.58) KMT2AALDH1A1HRH2HRH1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067518-B2 Pyridinyl-methyl-ethyl cyclohexanecarboxamides as serotonergic agents WYETH (US) 2006-06-27 US disclosed
US-20050107395-A1 Pyridinyl-methyl-ethyl cyclohexanecarboxamides as serotonergic agents WYETH 2005-05-19 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 (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-20050107395-A1 Pyridinyl-methyl-ethyl cyclohexanecarboxamides as serotonergic agents HTR1A, HTR5A, HTR2C KMT2A 742/4885MEN1 1771/4885ALDH1A1 1298/4885

“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.