SCHEMBL20857066

SCHEMBL20857066

O=C(c1ccc(Oc2ccccc2)cc1)N1CCCC(N(Cc2ccccc2)C(=O)CCl)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
OPRM1 P35372 3/20 0.46
HSD11B1 P28845 1/20 0.44
AGER Q15109 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
LTA4H P09960 2/20 0.44
CCR5 P51681 1/20 0.44
KCNH2 Q12809 1/20 0.44
MGLL Q99685 3/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
SLC6A7 Q99884 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
SCHEMBL20857072 0.84 MAPT (0.47) OPRM1HSD11B1AGERCHRM2CHRM3
SCHEMBL20857039 0.82 CYP2C9 (0.55) HTTOPRM1CHRM2CHRM3CCR5
SCHEMBL20857048 0.81 OPRM1 (0.56) OPRM1AGERCHRM2CHRM3CCR5
SCHEMBL20857036 0.79 AVPR1A (0.48) OPRM1CCR5KCNH2ALDH1A1KDM4E
SCHEMBL23175993 0.76 AGER (0.63) HTTOPRM1AGERCHRM2CHRM3
SCHEMBL20857067 0.76 RBP4 (0.48) OPRM1
SCHEMBL20857058 0.75 KMT2A (0.48) OPRM1CHRM2CHRM3CCR5KCNH2
SCHEMBL2936216 0.74 OPRM1 (0.58) HTTOPRM1AGERCHRM2CHRM3
SCHEMBL20857035 0.73 MITF (0.66) HTTOPRM1CHRM2CHRM3CCR5
SCHEMBL22387609 0.70 OPRM1 (0.45) OPRM1AGERCHRM2CHRM3UBE2M

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 HTT 2749/4885OPRM1 1992/4885HSD11B1 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.