SCHEMBL4697491

SCHEMBL4697491

c1ccc(CNC2CCCNCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.56
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RAB9A P51151 1/20 0.51
BCHE P06276 3/20 0.51
ACHE P22303 3/20 0.51
BACE1 P56817 3/20 0.51
SOS1 Q07889 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
FABP6 P51161 1/20 0.49
POLB P06746 1/20 0.47
GBA1 P04062 1/20 0.47
OPRM1 P35372 2/20 0.47
OPRL1 P41146 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
SLC6A2 P23975 1/20 0.46

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
SCHEMBL20267493 1.00 GRIN2B (0.56) GRIN2BMEN1KMT2ARAB9ABCHE
SCHEMBL20282266 1.00 GRIN2B (0.56) GRIN2BMEN1KMT2ARAB9ABCHE
SCHEMBL658055 0.93 GRIN2B (0.62) GRIN2BMEN1KMT2ARAB9ABCHE
Hydrochloric Acid SCHEMBL5238529 0.91 GRIN2B (0.61) GRIN2BMEN1KMT2ARAB9ABCHE
Methylene Chloride SCHEMBL27437439 0.88 GRIN2B (0.57) GRIN2BMEN1KMT2ARAB9ABCHE
SCHEMBL2687312 0.87 SLC6A2 (0.52) GRIN2BMEN1KMT2ARAB9ABCHE
SCHEMBL994345 0.87 SLC6A2 (0.52) GRIN2BMEN1KMT2ARAB9ABCHE
SCHEMBL2954218 0.84 GRIN2B (0.69) GRIN2BMEN1KMT2ARAB9ABCHE
SCHEMBL4173336 0.84 GRIN2B (0.69) GRIN2BMEN1KMT2ARAB9ABCHE
SCHEMBL433970 0.84 GRIN2B (0.69) GRIN2BMEN1KMT2ARAB9ABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110248946-B Azepan inhibitors of the Menin-MLL interaction 詹森药业有限公司 2023-05-23 CN disclosed
US-11530226-B2 Azepane inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2022-12-20 US disclosed
EP-3555103-B1 AZEPANE INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2021-09-22 EP disclosed
EP-3555103-B1 AZEPANE INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2021-09-22 EP disclosed
US-20200339594-A1 Azepane Inhibitors Of Menin-MLL Interaction JANSSEN PHARMACEUTICA NV (BE) 2020-10-29 US disclosed
EP-3555103-A1 AZEPANE INHIBITORS OF MENIN-MLL INTERACTION Janssen Pharmaceutica NV (BE) 2019-10-23 EP disclosed
WO-2018109088-A1 AZEPANE INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2018-06-21 WO disclosed
WO-2018109088-A1 AZEPANE INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2018-06-21 WO disclosed
EP-1963285-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS Amgen Inc. (US) 2008-09-03 EP disclosed
WO-2007067629-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2007-06-14 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 (2 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-11530226-B2 Azepane inhibitors of menin-MLL interaction MEN1, MLLT1, BMI1 GRIN2B 2576/4885MEN1 1/4885KMT2A 31/4885
US-20200339594-A1 Azepane Inhibitors Of Menin-MLL Interaction MEN1, MLLT1, BMI1 GRIN2B 2576/4885MEN1 1/4885KMT2A 31/4885

“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.