SCHEMBL4816952

SCHEMBL4816952

COc1ccc2cc(C(=O)C(C)N3CCN(Cc4ccc(N)cc4)CC3)ccc2c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
CCR5 P51681 1/20 0.40
FGFR3 P22607 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SLC6A4 P31645 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.39
CCR3 P51677 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDR P35968 1/20 0.39

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 SCHEMBL4817936 0.99 KMT2A (0.40) KMT2AMEN1KDM4ETP53MAPK1
Hydrochloric Acid SCHEMBL6505009 0.99 KMT2A (0.40) KMT2AMEN1KDM4ETP53MAPK1
SCHEMBL4821165 0.92 KMT2A (0.47) KMT2AMEN1KDM4EALDH1A1SLC6A4
Hydrochloric Acid SCHEMBL4820806 0.91 KMT2A (0.46) KMT2AMEN1KDM4EALDH1A1SLC6A4
Hydrochloric Acid SCHEMBL4470545 0.90 KMT2A (0.48) KMT2AMEN1KDM4EALDH1A1SLC6A4
SCHEMBL4814149 0.89 KDM4E (0.48) KMT2AMEN1KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL4817182 0.88 KDM4E (0.47) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL4817014 0.88 ALDH1A1 (0.49) KMT2AMEN1KDM4EMAPK1CCR5
SCHEMBL4818951 0.87 SLC6A4 (0.45) KMT2AMEN1KDM4EMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL4817270 0.87 KDM4E (0.48) KMT2AMEN1KDM4EMAPK1CCR5

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 4866/4885KDM4E 1525/4885

“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.