SCHEMBL22616998

SCHEMBL22616998

Nc1nccc(N2CCCCC2CO)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.48
▸ MKNK1 Q9BUB5 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.42
▸ NOS2 P35228 3/20 0.42
▸ CHUK O15111 2/20 0.41
▸ ROCK1 Q13464 2/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ CUL4A Q13619 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ MAP2K7 O14733 1/20 0.39

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
SCHEMBL28127175 0.77 CUL4A (0.46) MKNK1MKNK2NOS2ADORA2AADORA1
SCHEMBL25481828 0.77 HRH3 (0.50) HRH3HRH4ROCK1
SCHEMBL25481443 0.77 HRH3 (0.50) HRH3HRH4ROCK1
SCHEMBL25481832 0.77 HRH3 (0.50) HRH3HRH4ROCK1
SCHEMBL28127174 0.77 CUL4A (0.46) MKNK1MKNK2NOS2ADORA2AADORA1
SCHEMBL13018712 0.77 HRH3 (0.53) HRH3HRH4ROCK1
SCHEMBL13280212 0.76 ITGB2 (0.45) MKNK1MKNK2CHUKADORA2AADORA1
SCHEMBL13280367 0.76 ITGB2 (0.45) MKNK1MKNK2CHUKADORA2AADORA1
SCHEMBL13280214 0.76 ITGB2 (0.45) MKNK1MKNK2CHUKADORA2AADORA1
SCHEMBL15360083 0.76 MKNK1 (0.46) MKNK1MKNK2HRH4ADORA2AADORA1

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-20220213055-A1 SUBSTITUTED (PIPERIDIN-1-YL)ARYL ANALOGUES FOR MODULATING AVIL ACTIVITY UNIV VIRGINIA PATENT FOUNDATION (US) 2022-07-07 — — US disclosed
US-20220213055-A1 SUBSTITUTED (PIPERIDIN-1-YL)ARYL ANALOGUES FOR MODULATING AVIL ACTIVITY UNIV VIRGINIA PATENT FOUNDATION (US) 2022-07-07 — — US disclosed
EP-3962485-A1 SUBSTITUTED (PIPERIDIN-1-YL)ARYL ANALOGUES FOR MODULATING AVILACTIVITY University Of Virginia Patent Foundation (US) 2022-03-09 — — EP disclosed
WO-2020223715-A1 SUBSTITUTED (PIPERIDIN-1-YL)ARYL ANALOGUES FOR MODULATING AVILACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-11-05 — — WO disclosed
WO-2020223715-A1 SUBSTITUTED (PIPERIDIN-1-YL)ARYL ANALOGUES FOR MODULATING AVILACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-11-05 — — 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-20220213055-A1 SUBSTITUTED (PIPERIDIN-1-YL)ARYL ANALOGUES FOR MODULATING AVIL ACTIVITY VCL, VPS28, HDLBP HRH3 3683/4885MKNK1 1500/4885MKNK2 1702/4885

“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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