SCHEMBL20857048

SCHEMBL20857048

CC(=O)N1CCCC(N(Cc2ccccc2)C(=O)CCl)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.56
UBE2M P61081 1/20 0.48
DCUN1D1 Q96GG9 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48
CCR5 P51681 1/20 0.47
KCNH2 Q12809 1/20 0.47
RORC P51449 1/20 0.47
TMEM97 Q5BJF2 2/20 0.46
AGER Q15109 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL20857039 0.85 CYP2C9 (0.55) OPRM1CHRM2CHRM3CCR5KCNH2
SCHEMBL23175993 0.82 AGER (0.63) OPRM1CHRM2CHRM3AGERLMNA
SCHEMBL20857036 0.82 AVPR1A (0.48) OPRM1CCR5KCNH2
SCHEMBL20857058 0.82 KMT2A (0.48) OPRM1CHRM2CHRM3CCR5KCNH2
SCHEMBL20857066 0.81 HTT (0.50) OPRM1UBE2MDCUN1D1CHRM2CHRM3
SCHEMBL2936216 0.81 OPRM1 (0.58) OPRM1CHRM2CHRM3TMEM97AGER
SCHEMBL20857072 0.79 MAPT (0.47) OPRM1CHRM2CHRM3CCR5KCNH2
SCHEMBL20857067 0.78 RBP4 (0.48) OPRM1
SCHEMBL7280301 0.76 LTA4H (0.63) OPRM1UBE2MDCUN1D1RORC
SCHEMBL22387506 0.76 SLC6A2 (0.51) OPRM1DCUN1D1KCNH2AGER

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 OPRM1 1992/4885UBE2M 399/4885DCUN1D1 859/4885

“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.