SCHEMBL20469760

SCHEMBL20469760

COC(=O)C(c1ccccc1)N1CCN(C(=O)c2cccc(-c3nc4ncccc4o3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 4/20 0.47
PKM P14618 1/20 0.47
SIRT1 Q96EB6 2/20 0.46
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 3/20 0.45
MEN1 O00255 3/20 0.45
FAAH O00519 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HSP90AA1 P07900 1/20 0.44
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 3/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL23542090 0.88 NPC1 (0.52) SMN1; SMN2ALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL23542081 0.87 KMT2A (0.44) SMN1; SMN2ALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL23542077 0.84 NPC1 (0.49) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL20469804 0.83 NPC1 (0.47) SMN1; SMN2ALDH1A1KMT2AMEN1NPC1
SCHEMBL23542079 0.83 RAB9A (0.55) SMN1; SMN2GAAALDH1A1KMT2AKDM4E
SCHEMBL20469732 0.83 RAB9A (0.55) SMN1; SMN2GAAALDH1A1KMT2AKDM4E
SCHEMBL20469725 0.83 NPC1 (0.61) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL23542070 0.83 RAB9A (0.55) SMN1; SMN2GAAALDH1A1KMT2AKDM4E
SCHEMBL23542095 0.83 RAB9A (0.47) SMN1; SMN2ALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL20469723 0.83 FASN (0.49) SMN1; SMN2KMT2ANPC1RAB9AHSP90AA1

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 SMN1; SMN2 4850/4885GAA 2388/4885ALDH1A1 631/4885

“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.