SCHEMBL1373520

SCHEMBL1373520

COC(=O)C(CCCNC(=N)N)NC1CCC2(CCCCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 2/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ EPHX2 P34913 4/20 0.34
▸ SPHK1 Q9NYA1 4/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ EPHX1 P07099 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL18098224 1.00 NPY4R (0.36) NPY4RNPY1REPHX2SPHK1SMN1; SMN2
SCHEMBL12148248 0.82 — —
SCHEMBL27468541 0.78 HDAC4 (0.41) EPHX2SMN1; SMN2ITGB3ITGA2BEPHX1
SCHEMBL27468542 0.78 HDAC4 (0.41) EPHX2SMN1; SMN2ITGB3ITGA2BEPHX1
SCHEMBL27508415 0.77 HDAC4 (0.39) NPY4RNPY1REPHX2SMN1; SMN2ITGB3
SCHEMBL27466179 0.77 TDP1 (0.38) ITGB3ITGA2BEPHX1
SCHEMBL27466178 0.77 TDP1 (0.38) ITGB3ITGA2BEPHX1
SCHEMBL27508416 0.77 HDAC4 (0.39) NPY4RNPY1REPHX2SMN1; SMN2ITGB3
SCHEMBL18098226 0.76 TP53 (0.35) EPHX2SMN1; SMN2EPHX1ALDH1A1
SCHEMBL27632265 0.75 SMN1; SMN2 (0.45) EPHX2SMN1; SMN2EPHX1

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-20110288111-A1 INHIBITION OF INFLUENZA M2 PROTON CHANNEL THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-11-24 — — US claimed
WO-2010033339-A1 INHIBITION OF INFLUENZA M2 PROTON CHANNEL THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-03-25 — — WO claimed
US-9453005-B2 Inhibition of influenza M2 proton channel THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-09-27 — — US disclosed
US-20110288111-A1 INHIBITION OF INFLUENZA M2 PROTON CHANNEL THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-11-24 — — US disclosed
WO-2010033339-A1 INHIBITION OF INFLUENZA M2 PROTON CHANNEL THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-03-25 — — 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-20110288111-A1 INHIBITION OF INFLUENZA M2 PROTON CHANNEL HVCN1, TRPM2, ASIC1 NPY4R 3543/4885NPY1R 3504/4885EPHX2 3127/4885

“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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