SCHEMBL4408663

SCHEMBL4408663

CC(C)(C)OC(=O)N1CCC(CC(=O)O)CC1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 4/20 0.47
▸ NR1H2 P55055 6/20 0.46
▸ NR1H3 Q13133 5/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ GPR119 Q8TDV5 1/20 0.42
▸ HCRTR2 O43614 1/20 0.41
▸ RXRA P19793 2/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4407025 0.90 PSEN1 (0.43) RIPK1NR1H2NR1H3KDM4EPKM
SCHEMBL31424175 0.90 KDM4E (0.46) RIPK1NR1H2NR1H3KDM4EPKM
SCHEMBL26984143 0.89 RIPK1 (0.48) RIPK1NR1H2NR1H3KDM4EPKM
SCHEMBL2706444 0.89 RIPK1 (0.48) RIPK1NR1H2NR1H3KDM4EPKM
SCHEMBL26984259 0.88 NR1H2 (0.47) RIPK1NR1H2NR1H3KDM4EPKM
SCHEMBL27124864 0.88 NR1H2 (0.47) RIPK1NR1H2NR1H3KDM4EPKM
SCHEMBL27125161 0.88 RIPK1 (0.47) RIPK1NR1H2NR1H3KDM4EPKM
SCHEMBL22050003 0.88 RIPK1 (0.47) RIPK1NR1H2NR1H3KDM4EPKM
SCHEMBL26984206 0.88 RIPK1 (0.47) RIPK1NR1H2NR1H3KDM4EPKM
SCHEMBL27130342 0.88 RIPK1 (0.46) RIPK1NR1H2NR1H3KDM4EPKM

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
EP-1558577-B1 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2009-12-30 — — EP disclosed
US-20060128752-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2006-06-15 — — US disclosed
EP-1558577-A2 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-08-03 — — EP disclosed
WO-2004005256-A2 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-01-15 — — 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-20060128752-A1 Chemical compounds HTR7, NPSR1, TACR2 RIPK1 3289/4885NR1H2 149/4885NR1H3 126/4885

“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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