SCHEMBL20857039

SCHEMBL20857039

Cc1ccccc1C(=O)N1CCCC(N(Cc2ccccc2)C(=O)CCl)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTR2B P41595 1/20 0.55
MAPK14 Q16539 1/20 0.55
CCR5 P51681 6/20 0.54
KCNH2 Q12809 2/20 0.54
OPRM1 P35372 4/20 0.50
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.46
CCR6 P51684 1/20 0.45
MGLL Q99685 1/20 0.44
KMT2A Q03164 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL20857036 0.87 AVPR1A (0.48) CCR5KCNH2OPRM1ALDH1A1KMT2A
SCHEMBL20857048 0.85 OPRM1 (0.56) CCR5KCNH2OPRM1CHRM2CHRM3
SCHEMBL20857066 0.82 HTT (0.50) CCR5KCNH2OPRM1HTTALDH1A1
SCHEMBL20857072 0.78 MAPT (0.47) HTR2BCCR5KCNH2OPRM1MGLL
SCHEMBL23175993 0.77 AGER (0.63) OPRM1HTTALDH1A1KMT2ACHRM2
SCHEMBL20857067 0.77 RBP4 (0.48) OPRM1
SCHEMBL20857058 0.77 KMT2A (0.48) CCR5KCNH2OPRM1ALDH1A1KMT2A
SCHEMBL2936216 0.76 OPRM1 (0.58) OPRM1HTTALDH1A1KMT2ACHRM2
SCHEMBL7234134 0.71 CYP2C9 (1.00) CYP2C9CYP2C19HTR2BMAPK14HTT
SCHEMBL22387506 0.71 SLC6A2 (0.51) KCNH2OPRM1ALDH1A1KMT2A

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 CYP2C9 3851/4885CYP2C19 4336/4885HTR2B 4434/4885

“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.