SCHEMBL20857052

SCHEMBL20857052

C#Cc1cccc(CN(C(=O)CCl)C2CCCN(C(=O)c3ccc(N4CCOCC4)cc3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
MGLL Q99685 1/20 0.43
HSD11B1 P28845 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
AOC3 Q16853 4/20 0.39
HTR2B P41595 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
SNCA P37840 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAD52 P43351 1/20 0.37
CCR5 P51681 1/20 0.36
KCNH2 Q12809 1/20 0.36
MBTD1 Q05BQ5 1/20 0.35
TP53BP1 Q12888 1/20 0.35
L3MBTL4 Q8NA19 1/20 0.35

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
SCHEMBL20857072 0.87 MAPT (0.47) MAPTMGLLHSD11B1HTR2BKMT2A
SCHEMBL22387580 0.78 STS (0.42) HSD11B1MEN1KMT2A
SCHEMBL22387511 0.73 TACR1 (0.48) KCNH2
SCHEMBL20857066 0.72 HTT (0.50) MGLLHSD11B1SMN1; SMN2KDM4EGAA
SCHEMBL20857058 0.71 KMT2A (0.48) MAPTKDM4EMEN1KMT2AHPGD
SCHEMBL22387508 0.71 OPRM1 (0.42) SMN1; SMN2AOC3HRH3
SCHEMBL18790578 0.70 KDM4E (0.51) MAPTHSD11B1SMN1; SMN2HTR2BKDM4E
SCHEMBL18790577 0.70 KDM4E (0.51) MAPTHSD11B1SMN1; SMN2HTR2BKDM4E
SCHEMBL20857036 0.68 AVPR1A (0.48) KDM4EMEN1KMT2AALDH1A1CCR5
SCHEMBL20857048 0.67 OPRM1 (0.56) CCR5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200278355-A1 CONJUGATED PROTEINS AND USES THEREOF SCRIPPS RESEARCH INST (US) 2020-09-03 US disclosed
US-20200278355-A1 CONJUGATED PROTEINS AND USES THEREOF SCRIPPS RESEARCH INST (US) 2020-09-03 US disclosed
EP-3688472-A1 CONJUGATED PROTEINS AND USES THEREOF The Scripps Research Institute (US) 2020-08-05 EP disclosed
WO-2019067741-A1 CONJUGATED PROTEINS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2019-04-04 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-20200278355-A1 CONJUGATED PROTEINS AND USES THEREOF KEAP1, GSTK1, GSTM2 MAPT 3761/4885MGLL 4201/4885HSD11B1 2792/4885

“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.