SCHEMBL20469723

SCHEMBL20469723

COC(=O)C(c1ccccc1)N1CCN(C(=O)c2cccc(-c3nc4cc(Cl)ccc4o3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.49
MGLL Q99685 5/20 0.48
NPC1 O15118 1/20 0.47
HSP90AA1 P07900 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
CASP3 P42574 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
P2RY14 Q15391 4/20 0.45
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HPSE Q9Y251 1/20 0.43
PTGS2 P35354 1/20 0.42
DUSP1 P28562 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL20469804 0.91 NPC1 (0.47) MGLLNPC1HSP90AA1RAB9AKMT2A
SCHEMBL23542090 0.91 NPC1 (0.52) FASNMGLLNPC1HSP90AA1RAB9A
SCHEMBL23542079 0.90 RAB9A (0.55) MGLLNPC1HSP90AA1RAB9AKMT2A
SCHEMBL20469732 0.90 RAB9A (0.55) MGLLNPC1HSP90AA1RAB9AKMT2A
SCHEMBL23542095 0.90 RAB9A (0.47) MGLLNPC1HSP90AA1RAB9AKMT2A
SCHEMBL23542070 0.90 RAB9A (0.55) MGLLNPC1HSP90AA1RAB9AKMT2A
SCHEMBL20469800 0.89 NPC1 (0.46) MGLLNPC1HSP90AA1RAB9AKMT2A
SCHEMBL20469759 0.89 NPC1 (0.46) MGLLNPC1HSP90AA1RAB9AKMT2A
SCHEMBL20469657 0.88 MGLL (0.49) MGLLNPC1HSP90AA1RAB9AKMT2A
SCHEMBL20469754 0.88 MGLL (0.49) MGLLNPC1HSP90AA1RAB9AKMT2A

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-11040963-B2 Piperazine derivatives for influenza virus inhibitions JANSSEN VACCINES & PREVENTION B.V. (NL) 2021-06-22 US disclosed
WO-2018141854-A1 PIPERAZINE DERIVATIVES FOR INFLUENZA VIRUS INHIBITION JANSSEN VACCINES & PREVENTION B.V. (NL) 2018-08-09 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-11040963-B2 Piperazine derivatives for influenza virus inhibitions HAVCR2, BAZ2A, MAVS FASN 3949/4885MGLL 2930/4885NPC1 720/4885

“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.