SCHEMBL22635720

SCHEMBL22635720

CC(C)(C)OC(=O)N1CCC(F)(c2ccnc3ccccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
CYP11B2 P19099 1/20 0.44
GPR119 Q8TDV5 3/20 0.43
GBA1 P04062 2/20 0.43
ACHE P22303 2/20 0.43
POLB P06746 1/20 0.42
TACR1 P25103 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
DTYMK P23919 1/20 0.41
NAMPT P43490 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
TNKS O95271 1/20 0.41

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
SCHEMBL427037 0.92 POLB (0.47) OPRD1OPRK1CYP11B2GPR119GBA1
SCHEMBL21064298 0.88 OPRD1 (0.47) OPRD1OPRK1CYP11B2GPR119GBA1
SCHEMBL2224318 0.80 GPR119 (0.53) OPRD1OPRK1CYP11B2GPR119POLB
SCHEMBL429502 0.80 POLB (0.47) OPRD1OPRK1CYP11B2GPR119GBA1
SCHEMBL2422976 0.78 PDGFRB (0.55) GPR119GBA1ACHEPOLBCHRM2
SCHEMBL1513503 0.77 PDK2 (0.47) OPRD1OPRK1CYP11B2GPR119TACR1
SCHEMBL5473436 0.77 GPR119 (0.52) OPRD1OPRK1GPR119POLBDTYMK
SCHEMBL14660872 0.76 HDAC1 (0.48) OPRD1OPRK1GPR119POLBTACR1
SCHEMBL237234 0.76 TSHR (0.56) OPRD1OPRK1GPR119TACR1CHRM2
SCHEMBL17505251 0.75 TACR1 (0.47) OPRD1OPRK1GPR119TACR1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT OPRD1 402/4885OPRK1 197/4885CYP11B2 611/4885

“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.