SCHEMBL4407025

SCHEMBL4407025

CC(C)(C)OC(=O)N1CCC(CC(=O)O)CC1c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 2/20 0.43
▸ PSEN2 P49810 2/20 0.43
▸ APH1B Q8WW43 2/20 0.43
▸ NCSTN Q92542 2/20 0.43
▸ APH1A Q96BI3 2/20 0.43
▸ PSENEN Q9NZ42 2/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ TACR1 P25103 3/20 0.38
▸ NR1H2 P55055 2/20 0.38
▸ NR1H3 Q13133 2/20 0.38
▸ MMP13 P45452 1/20 0.37
▸ FFAR4 Q5NUL3 2/20 0.37
▸ CCR3 P51677 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ GPR119 Q8TDV5 2/20 0.37
▸ RIPK1 Q13546 1/20 0.37

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
SCHEMBL4408663 0.90 RIPK1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4412959 0.84 TACR1 (0.44) TACR1FFAR4
SCHEMBL2148828 0.83 RIPK1 (0.48) MEN1KMT2ATACR1NR1H2NR1H3
SCHEMBL2708227 0.82 MEN1 (0.43) MEN1KMT2ATACR1NR1H2NR1H3
SCHEMBL12979900 0.82 MEN1 (0.43) MEN1KMT2ATACR1NR1H2NR1H3
SCHEMBL2708229 0.82 MEN1 (0.43) MEN1KMT2ATACR1NR1H2NR1H3
SCHEMBL3714076 0.81 MEN1 (0.39) MEN1KMT2ATACR1NR1H2NR1H3
SCHEMBL2708184 0.81 MEN1 (0.39) MEN1KMT2ATACR1NR1H2NR1H3
SCHEMBL20449101 0.81 MEN1 (0.42) MEN1KMT2ATACR1NR1H2NR1H3
SCHEMBL20528419 0.81 MEN1 (0.42) MEN1KMT2ATACR1NR1H2NR1H3

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-20080262041-A1 Beta-Lactams for Treatment of Cns Disorders GLAXO GROUP LIMITED (GB) 2008-10-23 — — US disclosed
EP-1689737-B1 BETA-LACTAMS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2008-07-16 — — EP disclosed
US-20060128752-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2006-06-15 — — 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 (2 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-20080262041-A1 Beta-Lactams for Treatment of Cns Disorders SLC7A1, TPH1, CHRNA10 PSEN1 788/4885PSEN2 1581/4885APH1B 857/4885
US-20060128752-A1 Chemical compounds HTR7, NPSR1, TACR2 PSEN1 2594/4885PSEN2 2226/4885APH1B 4637/4885

“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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