SCHEMBL16095877

SCHEMBL16095877

NC(CC(=O)NCCN1C(=O)C=CC1=O)OC(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ OPRM1 P35372 2/20 0.33
▸ OPRD1 P41143 2/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ MC4R P32245 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CCR6 P51684 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ APBA1 Q02410 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL22973514 0.82 AKT1 (0.42) DRD2DRD3AKT1OPRM1OPRD1
SCHEMBL460703 0.77 ALDH1A1 (0.34) ALDH1A1LMNAMGLLFAAHPTGS1
SCHEMBL16097118 0.75 MGLL (0.46) ALDH1A1LMNAHSP90AA1PKMHTT
SCHEMBL16195830 0.75 MGLL (0.46) ALDH1A1LMNAHSP90AA1PKMHTT
Trifluoroacetic Acid SCHEMBL22973513 0.73 DRD2 (0.47) DRD2DRD3AKT1OPRM1OPRD1
SCHEMBL16307668 0.72 SMN1; SMN2 (0.49) DRD3AKT1OPRM1OPRD1OPRK1
SCHEMBL12094240 0.72 ALDH1A1 (0.48) DRD2DRD3AKT1OPRM1OPRD1
Trifluoroacetic Acid SCHEMBL16095879 0.71 DRD2 (0.46) DRD2DRD3AKT1OPRM1OPRD1
SCHEMBL26971749 0.71 MGLL (0.42) DRD2DRD3AKT1OPRM1OPRD1
SCHEMBL13093320 0.70 MGLL (0.43) AKT1OPRM1OPRD1OPRK1ALDH1A1

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-11833215-B2 CKIT antibody drug conjugates NOVARTIS AG (CH) 2023-12-05 — — US disclosed
US-20200405875-A1 CKIT ANTIBODY DRUG CONJUGATES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2020-12-31 — — US disclosed
WO-2016020791-A1 CKIT ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2016-02-11 — — WO disclosed
EP-2968591-A1 CELL PROLIFERATION INHIBITORS AND CONJUGATES THEREOF Novartis AG (CH) 2016-01-20 — — EP disclosed
WO-2014151030-A1 CELL PROLIFERATION INHIBITORS AND CONJUGATES THEREOF NOVARTIS AG (CH) 2014-09-25 — — 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 (2 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-20200405875-A1 CKIT ANTIBODY DRUG CONJUGATES EPCAM, CD44, CKAP4 DRD2 4052/4885DRD3 3276/4885AKT1 4241/4885
US-11833215-B2 CKIT antibody drug conjugates EPCAM, CD44, CKAP4 DRD2 4052/4885DRD3 3276/4885AKT1 4241/4885

“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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