SCHEMBL12766912

SCHEMBL12766912

Cc1cc(N)ccc1CC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.42
▸ SLC6A4 P31645 5/20 0.42
▸ ALDH1A1 P00352 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ PRKCZ Q05513 1/20 0.38
▸ EP300 Q09472 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ HTR2C P28335 1/20 0.34

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
SCHEMBL1641579 1.00 GBA1 (0.42) GBA1SLC6A4ALDH1A1SLC6A2PRKCZ
SCHEMBL8247174 0.83 GBA1 (0.44) GBA1SLC6A4PRKCZEP300HRH3
SCHEMBL21788553 0.81 SLC6A4 (0.58) GBA1SLC6A4SLC6A2KCNH2
SCHEMBL31203132 0.79 HTR1D (0.43) ALDH1A1HRH3HRH4
SCHEMBL1641578 0.79 GBA1 (0.41) GBA1SLC6A4SLC6A2KCNH2HRH3
SCHEMBL3966077 0.76 GBA1 (0.56) GBA1SLC6A4SLC6A2KCNH2HTR2C
SCHEMBL31203053 0.75 ALDH1A1 (0.46) GBA1SLC6A4ALDH1A1
SCHEMBL20135654 0.74 SLC6A2 (0.47) SLC6A4SLC6A2KCNH2HRH3HRH4
SCHEMBL31406342 0.74 ALDH1A1 (0.45) ALDH1A1PDE10A
SCHEMBL28838405 0.73 F2 (0.41) GBA1SLC6A4HRH3HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 — — US disclosed
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 — — 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-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors PDXK, MAP3K1, MAP4K2 GBA1 4328/4885SLC6A4 3995/4885ALDH1A1 3014/4885

“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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