SCHEMBL5680966

SCHEMBL5680966

C1CCC(C2CCCNC2)NC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.35
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
SLC6A1 P30531 2/20 0.33
SLC6A11 P48066 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A13 Q9NSD5 1/20 0.33
APLNR P35414 2/20 0.32
NOS2 P35228 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
CYP2D6 P10635 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL20256032 0.96 EPAS1 (0.35) EPAS1MBTD1L3MBTL3TSHRLMNA
SCHEMBL4129266 0.96 MBTD1 (0.36) EPAS1MBTD1L3MBTL3SLC6A1SLC6A11
SCHEMBL13351747 0.96 MBTD1 (0.36) EPAS1MBTD1L3MBTL3SLC6A1SLC6A11
SCHEMBL1546076 0.89 EPAS1 (0.36) EPAS1
SCHEMBL26123900 0.89 MBTD1 (0.35) EPAS1MBTD1L3MBTL3OPRM1OPRL1
SCHEMBL9142378 0.86 MBTD1 (0.40) MBTD1L3MBTL3SLC6A1SLC6A11TSHR
SCHEMBL943033 0.86 EPAS1 (0.33) EPAS1
SCHEMBL2273760 0.86 MBTD1 (0.40) MBTD1L3MBTL3SLC6A1SLC6A11TSHR
SCHEMBL10594 0.86 EPAS1 (0.33) EPAS1MBTD1L3MBTL3SLC6A1SLC6A11
SCHEMBL4072268 0.86 MBTD1 (0.36) MBTD1L3MBTL3SLC6A1SLC6A11TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124518-B2 L,2-dihydro-3H-pyrazolo[3,4-D]pyrimidin-3-one analogs RECURIUM IP HOLDINGS, LLC (US) 2021-09-21 US disclosed
US-20200157112-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS RECURIUM IP HOLDINGS, LLC 2020-05-21 US disclosed
US-10647989-B2 Composition and methods for producing tobacco plants and products having reduced tobacco-specific nitrosamines (TSNAs) ALTRIA CLIENT SERVICES LLC (US) 2020-05-12 US disclosed
US-20100215544-A1 HANDHELD MICROCANTILEVER-BASED SENSOR FOR DETECTING TOBACCO-SPECIFIC NITROSAMINES PHILIP MORRIS USA INC. (US) 2010-08-26 US disclosed
US-7709264-B2 Handheld microcantilever-based sensor for detecting tobacco-specific nitrosamines PHILIP MORRIS USA INC. (US) 2010-05-04 US disclosed
US-20080102532-A1 Handheld microcantilever-based sensor for detecting tobacco-specific nitrosamines PHILIP MORRIS USA INC. (US) 2008-05-01 US disclosed
EP-1060785-B1 Interfacially polymerized, bipiperidine-polyamide membranes for reverse osmosis and/or nanofiltration and process for making the same HYDRANAUTICS (US) 2006-04-05 EP disclosed
EP-1047740-B1 CURABLE RESIN COMPOSITIONS AKZO NOBEL COATINGS INT BV (NL) 2006-03-08 EP disclosed
US-6576297-B1 Epoxy resin and an amine functional curing agent having heterocyclic secondary amine groups INTERNATIONAL COATINGS LTD. (GB) 2003-06-10 US disclosed
US-6464873-B1 POLYFUNCTIONAL AROMATIC OR CYCLOALIPHATIC ACYL HALIDE REACTANT; HIGH FLUX RATES AND LOW PRESSURES WITH HIGH SULFATE REJECTION. HYDRANAUTICS 2002-10-15 US disclosed
EP-1060785-A1 Interfacially polymerized, bipiperidine-polyamide membranes for reverse osmosis and/or nanofiltration and process for making the same HYDRANAUTICS (US) 2000-12-20 EP 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-20200157112-A1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE ANALOGS MKI67, BRCA1, CDK4 EPAS1 522/4885MBTD1 2310/4885L3MBTL3 4087/4885
US-11124518-B2 L,2-dihydro-3H-pyrazolo[3,4-D]pyrimidin-3-one analogs MKI67, BRCA1, CCND1 EPAS1 678/4885MBTD1 2729/4885L3MBTL3 1193/4885

“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.