SCHEMBL4821165

SCHEMBL4821165

COc1ccc(CN2CCN(C(C)C(=O)c3ccc4c(Cl)c(OC)ccc4c3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 4/20 0.47
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
DRD4 P21917 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
SLC6A4 P31645 1/20 0.42
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.41

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
Hydrochloric Acid SCHEMBL4820806 0.99 KMT2A (0.46) KMT2AMEN1POLBPKMDRD4
SCHEMBL4816952 0.92 KMT2A (0.41) KMT2AMEN1KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL4817936 0.91 KMT2A (0.40) KMT2AMEN1KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL6505009 0.91 KMT2A (0.40) KMT2AMEN1KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL4470545 0.91 KMT2A (0.48) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL4814149 0.90 KDM4E (0.48) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL4866904 0.90 MEN1 (0.48) KMT2AMEN1POLBPKMKDM4E
Hydrochloric Acid SCHEMBL4817182 0.89 KDM4E (0.47) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL4817014 0.88 ALDH1A1 (0.49) KMT2AMEN1DRD4KDM4EALDH1A1
SCHEMBL4818951 0.88 SLC6A4 (0.45) KMT2AMEN1DRD4KDM4EALDH1A1

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-7332495-B2 Aralkyl-ketone piperazine derivatives and their uses as new antalgic or ataractic agent NHWA PHARMA. CORPORATION (CN) 2008-02-19 US claimed
US-20060148811-A1 Aralkyl-ketone piperazine derivatives and their uses as new antalgic or ataractic agent SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2006-07-06 US claimed
US-7332495-B2 Aralkyl-ketone piperazine derivatives and their uses as new antalgic or ataractic agent NHWA PHARMA. CORPORATION (CN) 2008-02-19 US disclosed
US-20060148811-A1 Aralkyl-ketone piperazine derivatives and their uses as new antalgic or ataractic agent SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2006-07-06 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-20060148811-A1 Aralkyl-ketone piperazine derivatives and their uses as new antalgic or ataractic agent AAK1, KCNJ1, KHK KMT2A 949/4885MEN1 4866/4885POLB 3467/4885

“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.