SCHEMBL4818951

SCHEMBL4818951

COc1ccc2cc(C(=O)C(C)N3CCN(Cc4cccc(Cl)c4)CC3)ccc2c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.45
CHRNA1 P02708 1/20 0.45
CHRNG P07510 1/20 0.45
CHRNB1 P11230 1/20 0.45
CHRNB2 P17787 1/20 0.45
SLC6A2 P23975 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CHRND Q07001 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ACHE P22303 1/20 0.44
DRD4 P21917 1/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 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 SCHEMBL4821955 0.99 SLC6A4 (0.44) SLC6A4CHRNA1CHRNGCHRNB1CHRNB2
Hydrochloric Acid SCHEMBL4470545 0.92 KMT2A (0.48) SLC6A4SLC6A2SLC6A3KMT2AMEN1
SCHEMBL4821165 0.88 KMT2A (0.47) SLC6A4KMT2AMEN1DRD4ALDH1A1
SCHEMBL4814149 0.87 KDM4E (0.48) KMT2AMEN1ALDH1A1TSHRLMNA
Hydrochloric Acid SCHEMBL4820806 0.87 KMT2A (0.46) SLC6A4KMT2AMEN1DRD4ALDH1A1
SCHEMBL4816952 0.87 KMT2A (0.41) SLC6A4SLC6A2SLC6A3KMT2AMEN1
Hydrochloric Acid SCHEMBL6505009 0.86 KMT2A (0.40) SLC6A4SLC6A2SLC6A3KMT2AMEN1
Hydrochloric Acid SCHEMBL4817182 0.86 KDM4E (0.47) KMT2AMEN1ALDH1A1TSHRLMNA
Hydrochloric Acid SCHEMBL4817936 0.86 KMT2A (0.40) SLC6A4SLC6A2SLC6A3KMT2AMEN1
SCHEMBL4818501 0.84 SMN1; SMN2 (0.51) KMT2AMEN1ALDH1A1LMNAKDM4E

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 SLC6A4 3943/4885CHRNA1 2006/4885CHRNG 2966/4885

“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.