SCHEMBL4814149

SCHEMBL4814149

COc1cc(CN2CCN(C(C)C(=O)c3ccc4c(Cl)c(OC)ccc4c3)CC2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
CYP2C9 P11712 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42

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 SCHEMBL4817182 0.99 KDM4E (0.47) KDM4ECYP2C9KMT2AMEN1ALOX15
Hydrochloric Acid SCHEMBL4470545 0.90 KMT2A (0.48) KDM4EKMT2AMEN1TSHRHSD17B10
SCHEMBL4821165 0.90 KMT2A (0.47) KDM4EKMT2AMEN1TSHRHSD17B10
SCHEMBL4816952 0.89 KMT2A (0.41) KDM4EKMT2AMEN1HSD17B10USP2
Hydrochloric Acid SCHEMBL4820806 0.89 KMT2A (0.46) KDM4EKMT2AMEN1TSHRHSD17B10
Hydrochloric Acid SCHEMBL4817936 0.88 KMT2A (0.40) KDM4EKMT2AMEN1HSD17B10USP2
Hydrochloric Acid SCHEMBL6505009 0.88 KMT2A (0.40) KDM4EKMT2AMEN1HSD17B10USP2
SCHEMBL4818951 0.87 SLC6A4 (0.45) KDM4EKMT2AMEN1TSHRUSP2
Hydrochloric Acid SCHEMBL4821955 0.86 SLC6A4 (0.44) KMT2AMEN1TSHRUSP2LMNA
SCHEMBL4817014 0.86 ALDH1A1 (0.49) KDM4EKMT2AMEN1LMNAALDH1A1

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 KDM4E 1525/4885CYP2C9 606/4885KMT2A 949/4885

“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.