SCHEMBL19972669

SCHEMBL19972669

CC(C)N(C)C(=O)c1cc(F)ccc1-n1cc(C2CCN(CC3CCC(NC(=O)O)CC3)CC2)c2ccncc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
HRH2 P25021 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KCNH2 Q12809 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
ACKR3 P25106 1/20 0.34
HTR2A P28223 2/20 0.34
DRD3 P35462 2/20 0.34
NPY5R Q15761 1/20 0.34
CRHR1 P34998 1/20 0.34

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
SCHEMBL19972578 1.00 OPRM1 (0.38) OPRM1OPRK1OPRL1HRH2MEN1
SCHEMBL19972510 0.94 HTR2A (0.40) OPRM1OPRK1OPRL1HRH2MEN1
SCHEMBL19980669 0.94 HTR2A (0.40) OPRM1OPRK1OPRL1HRH2MEN1
SCHEMBL19972513 0.94 HTR2A (0.40) OPRM1OPRK1OPRL1HRH2MEN1
SCHEMBL19972678 0.94 HTR2A (0.41) HTR2ADRD3
SCHEMBL19972597 0.93 HRH2 (0.37) HRH2
SCHEMBL19972463 0.91 OPRM1 (0.41) OPRM1OPRK1OPRL1HRH2MEN1
SCHEMBL19972462 0.91 OPRM1 (0.41) OPRM1OPRK1OPRL1HRH2MEN1
SCHEMBL30524094 0.91 OPRM1 (0.41) OPRM1OPRK1OPRL1HRH2MEN1
SCHEMBL30265628 0.91 OPRM1 (0.41) OPRM1OPRK1OPRL1HRH2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC (US) 2024-04-18 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-10899758-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2021-01-26 US disclosed
EP-3512850-A1 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, Inc. (US) 2019-07-24 EP 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 (5 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 OPRM1 4736/4885OPRK1 4855/4885OPRL1 4814/4885
US-10899758-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 OPRM1 4736/4885OPRK1 4855/4885OPRL1 4814/4885
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 OPRM1 4736/4885OPRK1 4855/4885OPRL1 4814/4885
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 OPRM1 4736/4885OPRK1 4855/4885OPRL1 4814/4885
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 OPRM1 4736/4885OPRK1 4855/4885OPRL1 4814/4885

“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.