SCHEMBL20857036

SCHEMBL20857036

O=C(c1cccc2ccccc12)N1CCCC(N(Cc2ccccc2)C(=O)CCl)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HIF1A Q16665 1/20 0.47
OPRM1 P35372 2/20 0.47
CCR5 P51681 3/20 0.46
KCNH2 Q12809 1/20 0.46
CCR3 P51677 1/20 0.46
DRD4 P21917 1/20 0.44

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 0.87 CYP2C9 (0.55) ALDH1A1KMT2AOPRM1CCR5KCNH2
SCHEMBL20857048 0.82 OPRM1 (0.56) OPRM1CCR5KCNH2
SCHEMBL20857066 0.79 HTT (0.50) KDM4EALDH1A1OPRM1CCR5KCNH2
SCHEMBL22387609 0.78 OPRM1 (0.45) OPRM1
SCHEMBL20857067 0.78 RBP4 (0.48) OPRM1
SCHEMBL20857072 0.77 MAPT (0.47) TP53KMT2AOPRM1CCR5KCNH2
SCHEMBL23175993 0.76 AGER (0.63) KDM4EALDH1A1MEN1KMT2AOPRM1
SCHEMBL20857058 0.76 KMT2A (0.48) KDM4EALDH1A1TP53TSHRMEN1
SCHEMBL2936216 0.75 OPRM1 (0.58) KDM4EALDH1A1MEN1KMT2AOPRM1
SCHEMBL7242072 0.73 CYP2C9 (0.68) AVPR1AALDH1A1CCR5

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 AVPR1A 4413/4885KDM4E 4173/4885ALDH1A1 1225/4885

“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.