SCHEMBL1948718

SCHEMBL1948718

CC(C)(C)OC(=O)N1CCCC12CCCN(Cc1ccccc1)C2=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC8 Q9BY41 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
RIPK1 Q13546 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
NPC1L1 Q9UHC9 1/20 0.39

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
SCHEMBL14719073 0.92 GRIN2B (0.50) KMT2AMEN1GRIN2BGRIN2COPRD1
SCHEMBL14085917 0.91 HDAC1 (0.45) KMT2AMEN1GRIN2BGRIN2COPRD1
SCHEMBL21225697 0.87 GRIN2B (0.42) KMT2AMEN1GRIN2BGRIN2COPRD1
SCHEMBL21224551 0.84 GRIN2B (0.48) GRIN2BGRIN2COPRD1OPRK1PDE4A
SCHEMBL14282652 0.82 GRIN2B (0.50) GRIN2BGRIN2CNPC1L1
SCHEMBL22087518 0.81 GRIN2B (0.48) GRIN2BGRIN2CHDAC1HDAC6HDAC8
SCHEMBL14016362 0.81 MEN1 (0.50) KMT2AMEN1
SCHEMBL29557107 0.79 GRIN2B (0.51) GRIN2BGRIN2CALDH1A1PDE4APDE4B
SCHEMBL5134060 0.79 GRIN2B (0.49) GRIN2BGRIN2CNPC1L1
SCHEMBL25852386 0.78 GRIN2B (0.51) GRIN2BGRIN2CPDE4APDE4BPDE4C

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-20240150367-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2024-05-09 US disclosed
US-20230023377-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2023-01-26 US disclosed
EP-3858349-A1 NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME Japan Tobacco Inc. (JP) 2021-08-04 EP disclosed
EP-3181570-A1 NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME Japan Tobacco Inc. (JP) 2017-06-21 EP disclosed
EP-2460806-B1 NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME JAPAN TOBACCO INC (JP) 2017-01-04 EP disclosed
US-20140187534-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2014-07-03 US disclosed
US-8609647-B2 Nitrogen-containing spirocyclic compounds and pharmaceutical uses thereof JAPAN TOBACCO INC. (JP) 2013-12-17 US disclosed
EP-2460806-A1 NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME Japan Tobacco, Inc. (JP) 2012-06-06 EP disclosed
US-20110136778-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2011-06-09 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 (4 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-20110136778-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF REN, PKD1, NR3C2 KMT2A 3312/4885MEN1 259/4885GRIN2B 2949/4885
US-20230023377-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF REN, PKD1, NPR1 KMT2A 3608/4885MEN1 218/4885GRIN2B 3350/4885
US-20140187534-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF REN, PKD1, NR3C2 KMT2A 3312/4885MEN1 259/4885GRIN2B 2949/4885
US-20240150367-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, NPR1 KMT2A 3544/4885MEN1 204/4885GRIN2B 3458/4885

“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.