SCHEMBL2700732

SCHEMBL2700732

O=C(O)N[C@H]1CC[C@H](CCO)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
EPHX1 P07099 3/20 0.38
POLB P06746 1/20 0.36
EPHX2 P34913 2/20 0.35
DRD2 P14416 4/20 0.35
DRD3 P35462 3/20 0.35
ESR2 Q92731 1/20 0.35
MMP2 P08253 1/20 0.34
MMP8 P22894 1/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2700734 1.00 KMT2A (0.40) KMT2AHPGDEPHX1POLBEPHX2
SCHEMBL15689001 0.90 KMT2A (0.35) KMT2AHPGDEPHX1POLBEPHX2
SCHEMBL22464854 0.88 EPHX1 (0.39) KMT2AHPGDEPHX1POLBEPHX2
SCHEMBL23440912 0.85 EPHX1 (0.42) KMT2AHPGDEPHX1POLBDRD2
SCHEMBL1498523 0.83 KMT2A (0.42) KMT2AHPGDEPHX1POLBEPHX2
SCHEMBL482127 0.83 KMT2A (0.42) KMT2AHPGDEPHX1POLBEPHX2
SCHEMBL482126 0.83 KMT2A (0.42) KMT2AHPGDEPHX1POLBEPHX2
SCHEMBL19128114 0.82 KMT2A (0.39) KMT2AHPGDEPHX1POLBEPHX2
SCHEMBL225429 0.82 DRD2 (0.47) KMT2AHPGDDRD2DRD3ALDH1A1
SCHEMBL3813807 0.82 KMT2A (0.39) KMT2AHPGDEPHX1POLBEPHX2

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 13 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
WO-2024072930-A1 DOPAMINE D3/D2 RECEPTOR PARTIAL AGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-04-04 WO 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
US-8969405-B2 Anticancer compounds and methods of making and using same ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2015-03-03 US disclosed
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 US 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 (7 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 KMT2A 12/4885HPGD 3902/4885EPHX1 2775/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KMT2A 3561/4885HPGD 962/4885EPHX1 3429/4885
US-10899758-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 KMT2A 12/4885HPGD 3902/4885EPHX1 2775/4885
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 KMT2A 12/4885HPGD 3902/4885EPHX1 2775/4885
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 KMT2A 12/4885HPGD 3902/4885EPHX1 2775/4885
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 KMT2A 12/4885HPGD 3902/4885EPHX1 2775/4885
US-20100152441-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KMT2A 3561/4885HPGD 962/4885EPHX1 3429/4885

“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.