SCHEMBL23225664

SCHEMBL23225664

CCOC(=O)C1(c2ccccc2)CCCCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.73
OPRD1 P41143 5/20 0.71
OPRK1 P41145 5/20 0.71
SLC22A1 O15245 2/20 0.71
SLC6A4 P31645 1/20 0.71
ADRA1A P35348 1/20 0.71
KCNH2 Q12809 1/20 0.71
PRCP P42785 2/20 0.66
SIGMAR1 Q99720 2/20 0.66
ALDH1A1 P00352 3/20 0.64
POLB P06746 1/20 0.64
APOBEC3A P31941 2/20 0.63
APOBEC3G Q9HC16 2/20 0.63
HTT P42858 2/20 0.63
CHRM2 P08172 2/20 0.62
CHRM1 P11229 2/20 0.62
MAPK1 P28482 1/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60

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
SCHEMBL6660823 0.98 OPRM1 (0.75) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL23225663 0.95 OPRM1 (0.75) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL23225662 0.92 OPRM1 (0.79) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL29222886 0.86 OPRM1 (0.63) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL14279021 0.85 OPRM1 (0.71) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL27379434 0.85 HDAC4 (0.59) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Ethoheptazine SCHEMBL24581 0.84 OPRM1 (0.90) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL3536978 0.84 OPRM1 (0.69) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Normeperidine SCHEMBL341796 0.84 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6869543 0.84 OPRM1 (0.69) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS PFIZER IRELAND PHARMACEUTICALS (IE) 2021-12-23 US disclosed
WO-2021072140-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. (US) 2021-04-15 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-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS CALCRL, CALCA, CALCB OPRM1 62/4885OPRD1 88/4885OPRK1 45/4885

“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.