SCHEMBL6375596

SCHEMBL6375596

CN(C)CCOc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3)[nH]c2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 8/20 0.65
▸ HRH3 Q9Y5N1 1/20 0.59
▸ LTA4H P09960 2/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ BCHE P06276 2/20 0.52
▸ ACHE P22303 2/20 0.52
▸ MAOB P27338 2/20 0.52
▸ MAOA P21397 1/20 0.52
▸ TNKS O95271 1/20 0.49
▸ PSEN1 P49768 1/20 0.47
▸ PSEN2 P49810 1/20 0.47
▸ APH1B Q8WW43 1/20 0.47
▸ NCSTN Q92542 1/20 0.47
▸ APH1A Q96BI3 1/20 0.47
▸ PSENEN Q9NZ42 1/20 0.47
▸ LRRK2 Q5S007 1/20 0.47

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
SCHEMBL8494433 1.00 SERPINE1 (0.65) SERPINE1HRH3LTA4HCYP2D6BCHE
SCHEMBL30388925 1.00 SERPINE1 (0.65) SERPINE1HRH3LTA4HCYP2D6BCHE
Hydrochloric Acid SCHEMBL6374524 0.99 SERPINE1 (0.64) SERPINE1HRH3LTA4HCYP2D6BCHE
SCHEMBL9015027 0.95 SERPINE1 (0.56) SERPINE1HRH3LTA4HBCHEACHE
SCHEMBL9015020 0.95 SERPINE1 (0.56) SERPINE1HRH3LTA4HBCHEACHE
SCHEMBL8494225 0.94 SERPINE1 (0.67) SERPINE1HRH3BCHEACHEMAOB
SCHEMBL6378369 0.94 SERPINE1 (0.67) SERPINE1HRH3BCHEACHEMAOB
Hydrochloric Acid SCHEMBL8494465 0.93 SERPINE1 (0.55) SERPINE1HRH3BCHEACHEMAOB
Hydrochloric Acid SCHEMBL8494449 0.93 SERPINE1 (0.55) SERPINE1HRH3BCHEACHEMAOB
SCHEMBL8495273 0.88 SERPINE1 (0.59) SERPINE1HRH3MAOB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5902812-A Pharmaceutical piperazine compounds XENOVA LIMITED (GB) 1999-05-11 — — US claimed
EP-0745069-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1996-12-04 — — EP claimed
WO-1995021829-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1995-08-17 — — WO claimed
WO-1994004512-A1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LIMITED (GB) 1994-03-03 — — WO claimed
US-20050249681-A1 Use of diketopiperazine derivatives as photostable uv-filters in cosmetic and pharmaceutical preparations BASF AKTIENGESELLSCHAFT (DE) 2005-11-10 — — US disclosed
US-5902812-A Pharmaceutical piperazine compounds XENOVA LIMITED (GB) 1999-05-11 — — US disclosed
US-5700804-A INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITORS XENOVA LIMITED (GB) 1997-12-23 — — US disclosed
EP-0745069-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1996-12-04 — — EP disclosed
WO-1995021829-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1995-08-17 — — WO disclosed
EP-0655060-A1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LIMITED (GB) 1995-05-31 — — EP disclosed
WO-1994004512-A1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LIMITED (GB) 1994-03-03 — — WO 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-20050249681-A1 Use of diketopiperazine derivatives as photostable uv-filters in cosmetic and pharmaceutical preparations DHPS, MC1R, MITF SERPINE1 1257/4885HRH3 1609/4885LTA4H 2855/4885

“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.

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