SCHEMBL4820169

SCHEMBL4820169

COc1ccc2cc(C(=O)C(C)N3CCNCC3)ccc2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 5/20 0.41
SLC6A3 Q01959 4/20 0.41
CHRNA1 P02708 3/20 0.41
CHRNG P07510 3/20 0.41
CHRNB1 P11230 3/20 0.41
CHRNB2 P17787 3/20 0.41
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
CHRNA4 P43681 3/20 0.41
CHRND Q07001 3/20 0.41
FGFR1 P11362 2/20 0.40
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38

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 SCHEMBL3840266 0.99 KDM4E (0.45) KDM4EALDH1A1GAASLC6A2SLC6A4
SCHEMBL4819638 0.83 ALDH1A1 (0.47) KDM4EALDH1A1GAASLC6A2SLC6A4
SCHEMBL4820802 0.83 ALDH1A1 (0.47) KDM4EALDH1A1GAASLC6A2SLC6A4
SCHEMBL4813174 0.83 ALDH1A1 (0.47) KDM4EALDH1A1GAASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4815761 0.83 ALDH1A1 (0.47) KDM4EALDH1A1GAASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4818084 0.83 ALDH1A1 (0.47) KDM4EALDH1A1GAASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6491736 0.81 CHRNA1 (0.47) KDM4EALDH1A1GAASLC6A2SLC6A4
SCHEMBL4821165 0.81 KMT2A (0.47) KDM4EALDH1A1GAASLC6A4
SCHEMBL4875541 0.81 POLB (0.51) KDM4EALDH1A1GAASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4470545 0.81 KMT2A (0.48) KDM4EALDH1A1GAASLC6A2SLC6A4

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-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 1525/4885ALDH1A1 387/4885GAA 776/4885

“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.