SCHEMBL5881631

SCHEMBL5881631

CCN(CC)C(=O)c1ccc(NCCN2CCOCC2)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.45
▸ CD274 Q9NZQ7 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ AR P10275 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA9 Q16790 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
SCHEMBL5881693 0.89 ACP1 (0.51) KDM4EPOLBALDH1A1CYP1A2CYP2D6
SCHEMBL5881840 0.83 KDM4E (0.64) KDM4EPOLBALDH1A1GAAMAPT
SCHEMBL15774705 0.83 PTGER4 (0.61) KDM4EPOLBALDH1A1HSD17B10GAA
SCHEMBL27516592 0.82 HRH3 (0.58) HRH3CD274POLBALDH1A1CYP3A4
SCHEMBL2549679 0.77 POLB (0.59) KDM4ECD274POLBALDH1A1CYP1A2
SCHEMBL8253385 0.77 PTGER4 (0.63) KDM4EPOLBALDH1A1HSD17B10AR
SCHEMBL5881658 0.77 HPGD (0.49) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL28445058 0.76 KMT2A (0.48) KDM4EPOLBALDH1A1CYP3A4CYP1A2
SCHEMBL5882076 0.76 PTGER4 (0.70) KDM4EALDH1A1CYP1A2HSD17B10GAA
SCHEMBL5881696 0.76 HPGD (0.48) KDM4EALDH1A1HSD17B10GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135554-A1 Novel compounds ASTRAZENECA AB (SE) 2006-06-22 — — US disclosed
US-7030139-B2 Compounds ASTRAZENECA AB (SE) 2006-04-18 — — US disclosed
US-20040116465-A1 Novel compounds ASTRAZENECA AB (SE) 2004-06-17 — — US disclosed
EP-1390350-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-02-25 — — EP disclosed
WO-2002085866-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-10-31 — — 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-20060135554-A1 Novel compounds OPRL1, OPRK1, TRPV1 HRH3 1749/4885KDM4E 4683/4885CD274 4868/4885

“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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