SCHEMBL18917677

SCHEMBL18917677

CC(C)(C)OC(=O)N1CCC(n2ccc3cc(C=O)ccc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.43
HCAR1 Q9BXC0 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
CYP2A6 P11509 1/20 0.41
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCD Q05655 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL5255201 0.85 GPR119 (0.51) GPR119HCAR1MAPTKDM4ETHRB
SCHEMBL4898807 0.84 USP30 (0.50) GPR119HCAR1MAPTKDM4ETHRB
SCHEMBL18788085 0.84 NR1H2 (0.47) GPR119HCAR1MAPTKDM4ETHRB
SCHEMBL5253861 0.84 STS (0.47) GPR119HCAR1MAPTKDM4ETHRB
SCHEMBL17092750 0.83 KMT2A (0.46) GPR119HCAR1MAPTKDM4ETHRB
SCHEMBL5258987 0.83 STS (0.47) GPR119HCAR1MAPTKDM4ETHRB
SCHEMBL25213516 0.83 GPR119 (0.46) GPR119HCAR1MAPTKDM4ETHRB
SCHEMBL18918197 0.82 KDM4E (0.43) GPR119KDM4EALDH1A1
SCHEMBL17092719 0.82 GPR119 (0.45) GPR119HCAR1MAPTKDM4ETHRB
SCHEMBL3159082 0.82 GPR119 (0.52) GPR119HCAR1MAPTKDM4ETHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 US disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 US disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 US disclosed
WO-2017096045-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. (US) 2017-06-08 WO disclosed
WO-2017096045-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. (US) 2017-06-08 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-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KRAS, HRAS, NRAS GPR119 2947/4885HCAR1 3339/4885MAPT 3393/4885

“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.