SCHEMBL1948973

SCHEMBL1948973

CC(Cl)CN(CC(=O)OC(C)(C)C)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.45
NR1D1 P20393 4/20 0.43
NR1H3 Q13133 1/20 0.43
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCB1 P08183 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL22038599 1.00 AKT1 (0.45) AKT1NR1D1NR1H3CTSLCTSB
SCHEMBL17986810 1.00 AKT1 (0.45) AKT1NR1D1NR1H3CTSLCTSB
SCHEMBL17986809 0.88 AKT1 (0.46) AKT1NR1D1NR1H3CTSLCTSB
SCHEMBL782348 0.87 AKT1 (0.55) AKT1NR1D1NR1H3CTSLCTSB
SCHEMBL13163615 0.84 TSHR (0.53) AKT1NR1D1NR1H3CTSLCTSB
SCHEMBL782349 0.83 AKT1 (0.51) AKT1NR1D1NR1H3CTSLCTSB
SCHEMBL23130693 0.82 AKT1 (0.50) AKT1NR1D1NR1H3CTSLCTSB
SCHEMBL30915258 0.82 AKT1 (0.50) AKT1NR1D1NR1H3CTSLCTSB
SCHEMBL7570965 0.82 AKT1 (0.50) AKT1NR1D1NR1H3CTSLCTSB
SCHEMBL8018235 0.82 AKT1 (0.50) AKT1NR1D1NR1H3CTSLCTSB

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
US-20240150367-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2024-05-09 US disclosed
CN-117865992-A Process for preparing 7H-pyrrolo [2,3-d ] pyrimidine derivatives and synthetic intermediates therefor 日本烟草产业株式会社 2024-04-12 CN disclosed
CN-110300756-B Process for preparing 7H-pyrrolo [2,3-d ] pyrimidine derivatives and synthetic intermediates therefor 日本烟草产业株式会社 2024-01-02 CN disclosed
US-20230023377-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2023-01-26 US disclosed
US-20230023377-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2023-01-26 US disclosed
CN-110099910-B Preparation method of 7H-pyrrolo [2,3-d ] pyrimidine derivative and eutectic crystal thereof 日本烟草产业株式会社 2022-12-20 CN disclosed
CN-107709337-B Process for the preparation of 7H-pyrrolo [2, 3-d ] pyrimidine derivatives and intermediates therefor 日本烟草产业株式会社 2021-11-16 CN disclosed
EP-3858349-A1 NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME Japan Tobacco Inc. (JP) 2021-08-04 EP disclosed
EP-3858349-A1 NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME Japan Tobacco Inc. (JP) 2021-08-04 EP disclosed
CN-110300756-A Preparation method of 7H-pyrrolo [2,3-d ] pyrimidine derivative and synthetic intermediate thereof 日本烟草产业株式会社 2019-10-01 CN disclosed
US-20140187534-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2014-07-03 US disclosed
US-20140187534-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2014-07-03 US 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
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
US-20110136778-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2011-06-09 US disclosed
US-20110136778-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2011-06-09 US disclosed
WO-2011013785-A1 NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME 日本たばこ産業株式会社 (JP) 2011-02-03 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 (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 AKT1 638/4885NR1D1 88/4885NR1H3 427/4885
US-20230023377-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF REN, PKD1, NPR1 AKT1 478/4885NR1D1 176/4885NR1H3 924/4885
US-20140187534-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF REN, PKD1, NR3C2 AKT1 638/4885NR1D1 88/4885NR1H3 427/4885
US-20240150367-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, NPR1 AKT1 458/4885NR1D1 146/4885NR1H3 929/4885

“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.