SCHEMBL16196134

SCHEMBL16196134

CC1(C)OB(c2cnc3c(c2)CCCN3)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.45
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
P2RX7 Q99572 1/20 0.33
GRM5 P41594 1/20 0.33
ASIC3 Q9UHC3 1/20 0.32
UHRF1 Q96T88 1/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
MAP3K12 Q12852 1/20 0.31
OGA O60502 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.30
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
FFAR1 O14842 1/20 0.30
DGAT1 O75907 2/20 0.30

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
SCHEMBL8385483 0.92 NNMT (0.42) NNMTGSK3AGSK3BP2RX7GRM5
SCHEMBL20245436 0.84 NNMT (0.41) NNMTGRM5
SCHEMBL29980683 0.78 CRBN (0.43) GSK3AGSK3BPDGFRBKDR
SCHEMBL14704636 0.78 CRBN (0.43) GSK3AGSK3BPDGFRBKDR
SCHEMBL24485530 0.77 P2RX7 (0.37) GSK3AGSK3BP2RX7PDGFRBKDR
SCHEMBL14654811 0.77 ADRA2A (0.38) GSK3AGSK3BP2RX7PDGFRBKDR
SCHEMBL17732852 0.74 GSK3A (0.36) GSK3AGSK3BPDGFRBKDRAAK1
SCHEMBL21382549 0.74 KDM4E (0.43) P2RX7LPLLIPG
SCHEMBL13193888 0.73 PDGFRB (0.34) GSK3AGSK3BP2RX7PDGFRBKDR
SCHEMBL393621 0.73 GSK3A (0.48) GSK3AGSK3BPDGFRBKDRAAK1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768675-B1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2026-04-01 EP disclosed
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2024-12-19 US disclosed
US-11780830-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-10-10 US disclosed
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-08-01 US disclosed
US-20230044255-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2023-02-09 US disclosed
US-11168073-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2021-11-09 US disclosed
EP-3894398-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Yuhan Corporation (KR) 2021-10-20 EP disclosed
US-20210317110-A1 TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2021-10-14 US disclosed
CN-113330001-A 3, 3-difluoroallylamine or salt thereof and pharmaceutical composition containing same 柳韩洋行 2021-08-31 CN disclosed
US-10995086-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2021-05-04 US disclosed
EP-2991985-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 EP disclosed
US-20180105525-A1 ANTIBACTERIAL CYCLOPENTA[C]PYRROLE SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES Janssen Sciences Ireland Unlimited Company (IE) 2018-04-19 US disclosed
EP-2991985-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2016-03-09 EP disclosed
US-9181272-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-10 US disclosed
US-9181272-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-10 US disclosed
US-9181272-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-10 US disclosed
WO-2014179186-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-06 WO disclosed
WO-2014179186-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-06 WO disclosed
US-20140323468-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-30 US disclosed
US-20140323468-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-30 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 (9 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-11168073-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same VAPA, VAPB, SLC10A1 NNMT 180/4885GSK3A 3428/4885GSK3B 3824/4885
US-20210317110-A1 TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME SLC10A1, VAT1, LIPC NNMT 1451/4885GSK3A 1707/4885GSK3B 1668/4885
US-20230044255-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 NNMT 180/4885GSK3A 3428/4885GSK3B 3824/4885
US-11780830-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same SLC10A1, VAT1, LIPC NNMT 1451/4885GSK3A 1707/4885GSK3B 1668/4885
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 NNMT 180/4885GSK3A 3428/4885GSK3B 3824/4885
US-20140323468-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, REN NNMT 637/4885GSK3A 215/4885GSK3B 192/4885
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same VAPA, VAPB, SLC10A1 NNMT 180/4885GSK3A 3428/4885GSK3B 3824/4885
US-10995086-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same SLC10A1, VAT1, VAPB NNMT 1499/4885GSK3A 1827/4885GSK3B 1817/4885
US-20180105525-A1 ANTIBACTERIAL CYCLOPENTA[C]PYRROLE SUBSTITUTED 3,4-DIHYDRO-1H-[1,8]NAPHTHYRIDINONES ECI1, ALPI, PREP NNMT 2726/4885GSK3A 3252/4885GSK3B 3146/4885

“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.