SCHEMBL3965498

SCHEMBL3965498

CN(C)CC1CCC(CN(C)C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 5/20 0.41
CCR6 P51684 1/20 0.40
MITF O75030 1/20 0.37
HSP90AA1 P07900 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
SCHEMBL5997701 0.90 METAP1 (0.39) METAP1CCR6MITFHSP90AA1
SCHEMBL12721211 0.88 METAP1 (0.38) METAP1CCR6MITFHSP90AA1
SCHEMBL12493861 0.81 METAP1 (0.34) METAP1CCR6MITFHSP90AA1
SCHEMBL12494213 0.78 METAP1 (0.36) METAP1CCR6MITFHSP90AA1
SCHEMBL6741340 0.78 METAP1 (0.35) METAP1CCR6MITFHSP90AA1
SCHEMBL13899831 0.75
SCHEMBL6869112 0.73 METAP1 (0.39) METAP1CCR6
SCHEMBL14141207 0.72 ACE (0.45)
SCHEMBL6865770 0.72 HTR6 (0.39) METAP1CCR6MITFHSP90AA1
SCHEMBL4631245 0.72 HTR6 (0.39) METAP1CCR6MITFHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695186-B2 Alicyclic diepoxy compound having bis-spironorbornane structure, method for producing the same, and use thereof JX NIPPON OIL & ENERGY CORPORATION (JP) 2017-07-04 US disclosed
US-9695186-B2 Alicyclic diepoxy compound having bis-spironorbornane structure, method for producing the same, and use thereof JX NIPPON OIL & ENERGY CORPORATION (JP) 2017-07-04 US disclosed
US-9669016-B2 Antiparasitic effect of Bis[3,5-Bis(Benzylidene)-4-Oxo-1-Piperidinyl]amide Derivatives THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-06-06 US disclosed
US-9669016-B2 Antiparasitic effect of Bis[3,5-Bis(Benzylidene)-4-Oxo-1-Piperidinyl]amide Derivatives THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-06-06 US disclosed
EP-3135677-A1 ALICYCLIC DIEPOXY COMPOUND HAVING BIS-SPIRONORBORNANE STRUCTURE, METHOD FOR PRODUCING SAME, AND USE FOR SAME JX Nippon Oil & Energy Corporation (JP) 2017-03-01 EP disclosed
US-20170044179-A1 ALICYCLIC DIEPOXY COMPOUND HAVING BIS-SPIRONORBORNANE STRUCTURE, METHOD FOR PRODUCING THE SAME, AND USE THEREOF JX NIPPON OIL & ENERGY CORPORATION (JP) 2017-02-16 US disclosed
US-20170044179-A1 ALICYCLIC DIEPOXY COMPOUND HAVING BIS-SPIRONORBORNANE STRUCTURE, METHOD FOR PRODUCING THE SAME, AND USE THEREOF JX NIPPON OIL & ENERGY CORPORATION (JP) 2017-02-16 US disclosed
US-20160303105-A1 Antiparasitic Effect of Bis[3,5-Bis(Benzylidene)-4-Oxo-1-Piperidinyl]amide Derivatives THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2016-10-20 US disclosed
US-20160303105-A1 Antiparasitic Effect of Bis[3,5-Bis(Benzylidene)-4-Oxo-1-Piperidinyl]amide Derivatives THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2016-10-20 US disclosed
US-20150290183-A1 ANTIPARASITIC EFFECT OF BIS[3,5-BIS(BENZYLIDENE)-4-OXO-1-PIPERIDINYL]AMIDE DERIVATIVES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2015-10-15 US disclosed
US-20150290183-A1 ANTIPARASITIC EFFECT OF BIS[3,5-BIS(BENZYLIDENE)-4-OXO-1-PIPERIDINYL]AMIDE DERIVATIVES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2015-10-15 US disclosed
EP-1572197-B1 4- 1- (SULFONYL) -1H-INDOL-2-YL)-4- (HYDROXY) -CYCLOHEXA-2,5-DIENONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2009-07-29 EP disclosed
EP-1572197-A1 4- 1- (SULFONYL) -1H-INDOL-2-YL)-4- (HYDROXY) -CYCLOHEXA-2,5-DIENONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS Cancer Research Technology Limited (GB) 2005-09-14 EP disclosed
WO-2004056361-A1 4-(1-(SULFONYL)-1H-INDOL-2-YL)-4-(HYDROXY)-CYCLOHEXA-2,5-DIENONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-07-08 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 (3 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-20150290183-A1 ANTIPARASITIC EFFECT OF BIS[3,5-BIS(BENZYLIDENE)-4-OXO-1-PIPERIDINYL]AMIDE DERIVATIVES PDF, GLS2, OXA1L METAP1 1335/4885CCR6 1932/4885MITF 3945/4885
US-20170044179-A1 ALICYCLIC DIEPOXY COMPOUND HAVING BIS-SPIRONORBORNANE STRUCTURE, METHOD FOR PRODUCING THE SAME, AND USE THEREOF DHCR7, HSD17B7, CYP17A1 METAP1 4582/4885CCR6 2828/4885MITF 4448/4885
US-20160303105-A1 Antiparasitic Effect of Bis[3,5-Bis(Benzylidene)-4-Oxo-1-Piperidinyl]amide Derivatives PDF, GLS2, OXA1L METAP1 1335/4885CCR6 1932/4885MITF 3945/4885

“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.