SCHEMBL19693299

SCHEMBL19693299

O=C(O)N1CC2(CCN(Cc3ccccc3)C2)CC1=O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 11/20 0.54
CYP3A4 P08684 11/20 0.54
TSHR P16473 7/20 0.54
CHRM2 P08172 1/20 0.50
CHRM3 P20309 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 3/20 0.49
USP2 O75604 2/20 0.49

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
SCHEMBL19693711 0.84 CYP2D6 (0.50) CYP2D6CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL4692167 0.78 CYP2D6 (0.70) CYP2D6CYP3A4TSHRCHRM2CHRM3
SCHEMBL5243003 0.78 CYP2D6 (0.67) CYP2D6CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL1732446 0.76 CYP2D6 (0.65) CYP2D6CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL25685294 0.75 SIGMAR1 (0.58) CYP2D6CYP3A4TSHR
SCHEMBL6621788 0.75 CYP2D6 (0.56) CYP2D6CYP3A4TSHRCHRM2CHRM3
SCHEMBL484644 0.75 SIGMAR1 (0.56) CYP2D6CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL2381838 0.75 CYP2D6 (0.67) CYP2D6CYP3A4TSHRCHRM2CHRM3
SCHEMBL24994297 0.74 CYP2D6 (0.55) CYP2D6CYP3A4TSHRCHRM2CHRM3
SCHEMBL23968815 0.74 CYP2D6 (0.87) CYP2D6CYP3A4TSHRCHRM2CHRM3

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-20230174541-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC 2023-06-08 US disclosed
US-11479557-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2022-10-25 US disclosed
EP-3805215-A1 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, LLC (US) 2021-04-14 EP disclosed
US-20210053974-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC (US) 2021-02-25 US disclosed
EP-3468966-B1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS LLC (US) 2020-08-05 EP disclosed
US-10683302-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2020-06-16 US disclosed
US-20190144459-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC 2019-05-16 US disclosed
EP-3468966-A1 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, Inc. (US) 2019-04-17 EP disclosed
WO-2017214367-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. (US) 2017-12-14 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-20230174541-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CYP2D6 4548/4885CYP3A4 4408/4885TSHR 4567/4885
US-20190144459-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CYP2D6 4548/4885CYP3A4 4408/4885TSHR 4567/4885
US-11479557-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 CYP2D6 4548/4885CYP3A4 4408/4885TSHR 4567/4885
US-10683302-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 CYP2D6 4548/4885CYP3A4 4408/4885TSHR 4567/4885
US-20210053974-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CYP2D6 4548/4885CYP3A4 4408/4885TSHR 4567/4885

“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.