SCHEMBL22616952

SCHEMBL22616952

Nc1nccc(N2CCCC(COCc3ccccc3)C2)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.54
▸ ROCK1 Q13464 3/20 0.46
▸ PRMT5 O14744 1/20 0.45
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ MAP4K4 O95819 2/20 0.44
▸ IDH1 O75874 1/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.40
▸ CXCR4 P61073 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
SCHEMBL22616951 1.00 HRH3 (0.54) HRH3ROCK1PRMT5CTSLCTSB
SCHEMBL22623265 1.00 HRH3 (0.54) HRH3ROCK1PRMT5CTSLCTSB
SCHEMBL22623207 0.84 MAP4K4 (0.50) HRH3ROCK1MAP4K4BTKHRH4
SCHEMBL28810474 0.83 IDH1 (0.50) HRH3ROCK1PRMT5IDH1BTK
SCHEMBL28810473 0.83 IDH1 (0.50) HRH3ROCK1PRMT5IDH1BTK
SCHEMBL22437600 0.83 HRH3 (0.57) HRH3ROCK1PRMT5CTSLCTSB
SCHEMBL22616946 0.79 CTSL (0.46) CTSLCTSBCTSKCHRM2CHRM1
SCHEMBL22616944 0.78 MAP4K4 (0.60) HRH3MAP4K4BTKHRH4
SCHEMBL23582736 0.76 EIF2AK4 (0.54) HRH3IDH1BTK
SCHEMBL23582735 0.76 EIF2AK4 (0.54) HRH3IDH1BTK

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 3683/4885ROCK1 2846/4885PRMT5 1630/4885

“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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