SCHEMBL1008772

SCHEMBL1008772

NC(=O)CN1CC[C@@H](F)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
DPP4 P27487 6/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 1/20 0.37
APEX1 P27695 1/20 0.35
BLM P54132 1/20 0.35
DPP7 Q9UHL4 2/20 0.35
GRM2 Q14416 1/20 0.33
PRKCI P41743 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
WNT1 P04628 2/20 0.32
GSK3B P49841 2/20 0.32
DYRK1A Q13627 2/20 0.32

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
SCHEMBL1008579 1.00 KDM4E (0.45) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL6259122 1.00 KDM4E (0.45) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL1007025 0.90 KDM4E (0.41) KDM4ETSHRPOLBPKMDPP4
SCHEMBL1007967 0.90 KDM4E (0.41) KDM4ETSHRPOLBPKMDPP4
SCHEMBL1007026 0.90 KDM4E (0.41) KDM4ETSHRPOLBPKMDPP4
SCHEMBL1008455 0.87 KDM4E (0.59) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL11920739 0.85
SCHEMBL14737911 0.84 SMN1; SMN2 (0.36) KDM4EPOLBSMN1; SMN2DPP4DPP8
SCHEMBL5848866 0.83 KDM4E (0.45) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL1063621 0.83 KDM4E (0.45) KDM4ETSHRPOLBPKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105488-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2011-05-05 US claimed
CN-102036956-A Substituted pyrrolidine and piperidine compounds, derivatives thereof, and methods for treating pain CHLORION PHARMA INC 2011-04-27 CN claimed
EP-2268616-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN Chlorion Pharma, Inc. (CA) 2011-01-05 EP claimed
WO-2009114950-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2009-09-24 WO claimed
US-11673881-B2 Isoquinolin-3-yl carboxamides and preparation and use thereof BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-11174244-B2 Isoquinolin-3-yl carboxamides and preparation and use thereof BIOSPLICE THERAPEUTICS, INC. (US) 2021-11-16 US disclosed
US-20200339536-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2020-10-29 US disclosed
EP-3275861-A1 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2018-01-31 EP disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
EP-2470500-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-10-04 EP disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US disclosed
US-20110105488-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2011-05-05 US disclosed
US-20110105488-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2011-05-05 US disclosed
US-20110105488-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2011-05-05 US disclosed
EP-2268616-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN Chlorion Pharma, Inc. (CA) 2011-01-05 EP disclosed
WO-2009114950-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2009-09-24 WO disclosed
WO-2009114950-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2009-09-24 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 (6 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-11673881-B2 Isoquinolin-3-yl carboxamides and preparation and use thereof DYRK1A, DYRK3, DYRK1B KDM4E 1528/4885TSHR 3349/4885POLB 2158/4885
US-20200339536-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, DYRK3, DYRK1B KDM4E 1528/4885TSHR 3349/4885POLB 2158/4885
US-20170334841-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1A, TUBA1C KDM4E 2659/4885TSHR 826/4885POLB 2995/4885
US-20110105488-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN PAM, PNN, NOD1 KDM4E 1799/4885TSHR 4503/4885POLB 1933/4885
US-11174244-B2 Isoquinolin-3-yl carboxamides and preparation and use thereof DYRK1A, DYRK3, DYRK1B KDM4E 1528/4885TSHR 3349/4885POLB 2158/4885
US-20120208788-A1 Tetracycline Compounds TUBA1A, TUBA1C, TUBB1 KDM4E 2759/4885TSHR 990/4885POLB 3098/4885

“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.