SCHEMBL18848895

SCHEMBL18848895

CC(C)Oc1ccc(-c2ccc(C(C)(C)C)cc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.41
▸ TDO2 P48775 1/20 0.40
▸ PTPN5 P54829 1/20 0.39
▸ PTGES O14684 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ KIF11 P52732 2/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ CACNA1I Q9P0X4 1/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ WDR5 P61964 1/20 0.36

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
SCHEMBL10331375 0.91 CYP1A2 (0.46) CYP1A2NR1H4TDO2PTPN5PTGES
SCHEMBL17752214 0.82 RXFP1 (0.50) TDO2POLBRAB9AKDM4EHSP90AA1
SCHEMBL18842707 0.82 TDO2 (0.43) TDO2POLBRAB9AKDM4EHSP90AA1
SCHEMBL12896105 0.80 CYP11B1 (0.53) CYP1A2RAB9AMCL1LMNA
SCHEMBL17404857 0.79 PTPN5 (0.56) NR1H4PTPN5PTGESRAB9AKIF11
SCHEMBL18848893 0.77 ALOX5AP (0.40) CYP1A2RAB9A
SCHEMBL12173603 0.77 KIF11 (0.48) TDO2RAB9AKDM4ETRPV1KIF11
SCHEMBL799946 0.77 NR1H4 (0.57) NR1H4PTPN5PTGESPOLBRAB9A
SCHEMBL14062459 0.76 KIF11 (0.52) TDO2RAB9AKDM4ETRPV1KIF11
SCHEMBL12525207 0.76 KIF11 (0.53) TDO2RAB9AKDM4ETRPV1KIF11

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
US-9776987-B2 Amide derivatives for GPR119 agonist CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2017-10-03 — — US disclosed
US-20170129875-A1 AMIDE DERIVATIVES FOR GPR119 AGONIST CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-05-11 — — 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-20170129875-A1 AMIDE DERIVATIVES FOR GPR119 AGONIST GPR119, FFAR2, GLP1R CYP1A2 1113/4885NR1H4 92/4885TDO2 2878/4885

“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.

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