SCHEMBL19972515

SCHEMBL19972515

CC(C)N(C)C(=O)c1cc(F)ccc1-n1cc(C2CCN(Cc3ccc(N)cc3)CC2)c2ccncc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.38
HRH2 P25021 5/20 0.38
ROCK2 O75116 2/20 0.35
CCR2 P41597 2/20 0.35
ROCK1 Q13464 2/20 0.35
MCHR1 Q99705 1/20 0.34
HTR6 P50406 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
SCHEMBL19972581 0.96 HRH2 (0.39) HRH2ROCK2CCR2ROCK1MCHR1
SCHEMBL30524118 0.96 HRH2 (0.39) HRH2ROCK2CCR2ROCK1MCHR1
SCHEMBL19972475 0.93 HRH2 (0.39) HRH2HTR6
SCHEMBL21141087 0.93 HRH2 (0.40) HRH2MCHR1
SCHEMBL19972469 0.93 HRH2 (0.42) HRH2
SCHEMBL19972534 0.91 KCNH2 (0.39) HRH2
SCHEMBL30265897 0.91 ROCK2 (0.39) HRH2ROCK2
SCHEMBL30266123 0.91 KCNH2 (0.39) HRH2
SCHEMBL19972644 0.91 ROCK2 (0.39) HRH2ROCK2
SCHEMBL19972449 0.91 CCNT1 (0.40) HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118359610-A MENIN-MLL interaction inhibitors 生命医药有限责任公司 2024-07-19 CN disclosed
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
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-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
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-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
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
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 CCR5 3504/4885HRH2 3895/4885ROCK2 1491/4885
US-10899758-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 CCR5 3504/4885HRH2 3895/4885ROCK2 1491/4885
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CCR5 3504/4885HRH2 3895/4885ROCK2 1491/4885
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CCR5 3504/4885HRH2 3895/4885ROCK2 1491/4885
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CCR5 3504/4885HRH2 3895/4885ROCK2 1491/4885

“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.