SCHEMBL20857058

SCHEMBL20857058

O=C(C1CCN(c2ccccc2)CC1)N1CCCC(N(Cc2ccccc2)C(=O)CCl)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
OPRM1 P35372 3/20 0.47
CHRM4 P08173 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
ALOX12 P18054 1/20 0.45
ALDH1A1 P00352 2/20 0.43
BLM P54132 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CCR5 P51681 1/20 0.42
KCNH2 Q12809 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
RORC P51449 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
SCHEMBL20857048 0.82 OPRM1 (0.56) OPRM1CHRM2CHRM3CCR5KCNH2
SCHEMBL20857072 0.81 MAPT (0.47) KMT2AOPRM1MAPTCHRM2CHRM3
SCHEMBL20857039 0.77 CYP2C9 (0.55) KMT2AOPRM1ALDH1A1CHRM2CHRM3
SCHEMBL23175993 0.76 AGER (0.63) KMT2AMEN1OPRM1ALDH1A1CHRM2
SCHEMBL20857036 0.76 AVPR1A (0.48) KMT2AMEN1TSHROPRM1ALDH1A1
SCHEMBL20857066 0.75 HTT (0.50) OPRM1PKMALDH1A1CHRM2CHRM3
SCHEMBL2936216 0.75 OPRM1 (0.58) KMT2AMEN1OPRM1ALDH1A1CHRM2
SCHEMBL22387508 0.74 OPRM1 (0.42) OPRM1CHRM2CHRM3RORC
SCHEMBL20857067 0.72 RBP4 (0.48) OPRM1
SCHEMBL22387506 0.70 SLC6A2 (0.51) KMT2AMEN1OPRM1ALDH1A1KCNH2

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 KMT2A 3092/4885MEN1 4545/4885TSHR 3718/4885

“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.