SCHEMBL1375286

SCHEMBL1375286

COC(=O)C(Cc1c[nH]cn1)NC1CCC2(CCCCC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.31
▸ ITGB3 P05106 1/20 0.30
▸ ITGA2B P08514 1/20 0.30
▸ NLRP3 Q96P20 1/20 0.30
▸ GPR119 Q8TDV5 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
SCHEMBL18098225 1.00 ALDH1A1 (0.33) ALDH1A1NPSR1HRH3ITGB3ITGA2B
SCHEMBL12147633 0.82 SLC6A4 (0.32) —
SCHEMBL29715079 0.77 EPHX2 (0.39) —
SCHEMBL27756051 0.77 EPHX2 (0.39) —
SCHEMBL29103272 0.76 HDAC6 (0.36) ALDH1A1NLRP3
SCHEMBL27756043 0.76 PARP1 (0.33) ALDH1A1
SCHEMBL27777020 0.75 EPHX2 (0.37) ALDH1A1
SCHEMBL16263829 0.75 HDAC6 (0.34) ALDH1A1NLRP3
SCHEMBL14200585 0.75 HDAC6 (0.34) ALDH1A1NLRP3
SCHEMBL30179278 0.75 EPHX1 (0.34) ALDH1A1HRH3

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 ALDH1A1 2422/4885NPSR1 820/4885HRH3 75/4885

“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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