SCHEMBL4817014

SCHEMBL4817014

COc1ccc2cc(C(=O)C(C)N3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)ccc2c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 1/20 0.49
ABCC1 P33527 2/20 0.44
ABCB1 P08183 1/20 0.44
CCR5 P51681 1/20 0.43
TDP1 Q9NUW8 4/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 1/20 0.43
DRD4 P21917 1/20 0.43
NPC1 O15118 1/20 0.41
NR2F2 P24468 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
SLC6A2 P23975 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
SLC6A3 Q01959 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 SCHEMBL4817270 0.99 KDM4E (0.48) ALDH1A1KDM4ESMN1; SMN2HTTABCC1
SCHEMBL4821165 0.88 KMT2A (0.47) ALDH1A1KDM4EGAADRD4MEN1
Hydrochloric Acid SCHEMBL4820806 0.88 KMT2A (0.46) ALDH1A1KDM4EGAADRD4MEN1
SCHEMBL4816952 0.88 KMT2A (0.41) ALDH1A1KDM4ESMN1; SMN2CCR5MAPT
Hydrochloric Acid SCHEMBL4817936 0.87 KMT2A (0.40) ALDH1A1KDM4ESMN1; SMN2CCR5MAPT
Hydrochloric Acid SCHEMBL6505009 0.87 KMT2A (0.40) ALDH1A1KDM4ESMN1; SMN2CCR5MAPT
Hydrochloric Acid SCHEMBL4470545 0.87 KMT2A (0.48) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL4814149 0.86 KDM4E (0.48) ALDH1A1KDM4ELMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL4817182 0.85 KDM4E (0.47) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL4818951 0.84 SLC6A4 (0.45) ALDH1A1KDM4EMAPTMAPK1GAA

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 ALDH1A1 387/4885KDM4E 1525/4885SMN1; SMN2 4330/4885

“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.