SCHEMBL19980698

SCHEMBL19980698

CC(C)N(C)C(=O)c1cc(F)ccc1-n1cc(C2CCN(CCN3CCC(NC(=O)OC(C)(C)C)CC3)CC2)c2ccncc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.41
CCR5 P51681 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
KCNA3 P22001 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL30265904 1.00 NPY5R (0.41) NPY5RCCR5LMNATP53KCNA3
SCHEMBL30265747 0.95 DRD3 (0.39) NPY5R
SCHEMBL19980545 0.95 DRD3 (0.39) NPY5R
SCHEMBL30265918 0.94 DRD2 (0.39) NPY5RLMNATP53
SCHEMBL21141077 0.94 DRD2 (0.39) NPY5RLMNATP53
SCHEMBL30265699 0.94 DRD2 (0.39) NPY5RLMNATP53
SCHEMBL19980668 0.94 DRD2 (0.39) NPY5RLMNATP53
SCHEMBL19972597 0.91 HRH2 (0.37)
SCHEMBL30266004 0.87 NPY5R (0.34) NPY5RPARP1
SCHEMBL19980701 0.87 NPY5R (0.34) NPY5RPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739085-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2023-08-29 US disclosed
US-11739085-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2023-08-29 US disclosed
EP-4230627-A2 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, LLC (US) 2023-08-23 EP disclosed
EP-3512850-B1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS LLC (US) 2023-04-12 EP disclosed
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC (US) 2021-06-17 US disclosed
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. 2019-07-04 US disclosed
WO-2018053267-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. (US) 2018-03-22 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 (3 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-11739085-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 NPY5R 4778/4885CCR5 3504/4885LMNA 873/4885
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 NPY5R 4778/4885CCR5 3504/4885LMNA 873/4885
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 NPY5R 4778/4885CCR5 3504/4885LMNA 873/4885

“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.