SCHEMBL19972536

SCHEMBL19972536

CC(C)N(C)C(=O)c1cc(F)ccc1-n1c(=O)n(C2CCN(CCC3CCC(NC(=O)O)CC3)CC2)c2ccncc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 14/20 0.39
HTR2A P28223 13/20 0.39
KDM4C Q9H3R0 1/20 0.37
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 1/20 0.35
HTR2B P41595 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 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
SCHEMBL19972537 1.00 DRD3 (0.39) DRD3HTR2AKDM4CHTR1ADRD2
SCHEMBL30265953 0.91 DRD2 (0.40) DRD3HTR2AHTR1ADRD2DRD4
SCHEMBL30266055 0.91 DRD2 (0.40) DRD3HTR2AHTR1ADRD2DRD4
SCHEMBL19972577 0.91 HTR2A (0.43) DRD3HTR2AKDM4CHTR1ADRD2
SCHEMBL19972579 0.91 HTR2A (0.43) DRD3HTR2AKDM4CHTR1ADRD2
SCHEMBL26036573 0.91 KDM4C (0.36) DRD3HTR2AKDM4C
SCHEMBL19972649 0.90 CYP3A4 (0.36) DRD3HTR2AKDM4C
SCHEMBL19972651 0.90 CYP3A4 (0.36) DRD3HTR2AKDM4C
SCHEMBL19980715 0.85 CYP3A4 (0.38) HTR2A
SCHEMBL19972671 0.83 OPRL1 (0.42) DRD3KDM4CDRD2DRD4OPRM1

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 DRD3 4556/4885HTR2A 4696/4885KDM4C 397/4885
US-10899758-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 DRD3 4556/4885HTR2A 4696/4885KDM4C 397/4885
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 DRD3 4556/4885HTR2A 4696/4885KDM4C 397/4885
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 DRD3 4556/4885HTR2A 4696/4885KDM4C 397/4885
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 DRD3 4556/4885HTR2A 4696/4885KDM4C 397/4885

“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.