SCHEMBL23658679

SCHEMBL23658679

CCOC(=O)C1CN(C(=O)Cc2ccccc2)CCC1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
TACR3 P29371 1/20 0.47
HSD11B1 P28845 1/20 0.47
NPC1 O15118 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL376366 0.85 SMN1; SMN2 (0.49) KMT2AMEN1NPC1CYP2C19SMN1; SMN2
SCHEMBL17868152 0.84 KMT2A (0.52) POLBALDH1A1KMT2AMEN1NPC1
SCHEMBL7233616 0.83 HPGD (0.46) POLBALDH1A1KMT2AMEN1HPGD
SCHEMBL27606506 0.82 MAPT (0.43) POLBALDH1A1KMT2AMEN1NPC1
SCHEMBL2127522 0.81 MAPT (0.44) ALDH1A1KMT2AMEN1NPC1HPGD
SCHEMBL159259 0.81 L3MBTL1 (0.54) ALDH1A1KMT2AMEN1L3MBTL1
Hydrochloric Acid SCHEMBL1000168 0.80 L3MBTL1 (0.53) ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL275384 0.79 KDM4E (0.50) POLBALDH1A1KMT2AMEN1CYP2D6
SCHEMBL10654584 0.79 MAPT (0.46) POLBALDH1A1KMT2AMEN1HPGD
SCHEMBL16903362 0.78 SMN1; SMN2 (0.47) ALDH1A1KMT2AMEN1NPC1CYP3A4

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-20230100186-A1 FENTANYL HAPTENS FOR THE PREPARATION OF A FENTANYL VACCINE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2023-03-30 US disclosed
WO-2021146334-A1 FENTANYL HAPTENS FOR THE PREPARATION OF A FENTANYL VACCINE THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. (US) 2021-07-22 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-20230100186-A1 FENTANYL HAPTENS FOR THE PREPARATION OF A FENTANYL VACCINE OPRL1, OPRK1, CYP2F1 POLB 3830/4885ALDH1A1 1790/4885KMT2A 2889/4885

“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.