SCHEMBL18935537

SCHEMBL18935537

CC(C)(C)OC(=O)N1CCN(Cc2ccc3cc[nH]c3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.58
MAPK14 Q16539 3/20 0.53
TSHR P16473 1/20 0.49
TBK1 Q9UHD2 10/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
IDO2 Q6ZQW0 1/20 0.47
VEGFA P15692 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46

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
SCHEMBL3041483 0.92 FAAH (0.59) FAAHMAPK14TBK1IDO1TDO2
SCHEMBL16855862 0.82 FAAH (0.58) FAAH
SCHEMBL17276352 0.82 FAAH (0.58) FAAH
SCHEMBL3752475 0.81 FAAH (0.70) FAAHMAPK14TSHR
SCHEMBL31570953 0.81 PARP1 (0.58) TBK1IDO1TDO2IDO2VEGFA
SCHEMBL29979105 0.80 MAPT (0.54) TSHR
SCHEMBL3044686 0.80 GHSR (0.60) MAPK14
SCHEMBL1226103 0.80 MAPT (0.54) TSHR
SCHEMBL20765610 0.80 FAAH (0.65) FAAHMAPK14TSHR
SCHEMBL30083799 0.79 TBK1 (0.59) TBK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017096045-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. (US) 2017-06-08 WO disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 US 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-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KRAS, HRAS, NRAS FAAH 4430/4885MAPK14 205/4885TSHR 3658/4885

“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.