SCHEMBL668536

SCHEMBL668536

CCN(CC)C(=O)N1CCC(=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.60
POLB P06746 2/20 0.51
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
RYR2 Q92736 2/20 0.41
HTT P42858 1/20 0.38
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
P2RX4 Q99571 2/20 0.38
LIPE Q05469 2/20 0.37
TACR1 P25103 1/20 0.36
PARP1 P09874 1/20 0.35

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
SCHEMBL22350718 0.79 HTR1A (0.69) HTR1APOLBKDM4EALDH1A1KMT2A
SCHEMBL12928358 0.79 HTR1A (0.69) HTR1APOLBKDM4EALDH1A1KMT2A
SCHEMBL1858027 0.77 HTR1A (0.67) HTR1APOLBKDM4EALDH1A1KMT2A
SCHEMBL26614873 0.77 MAPT (0.47) ALDH1A1KMT2ATSHRMAPTNPSR1
Diethylcarbamazine SCHEMBL67289 0.75 HTR1A (1.00) HTR1APOLBKDM4EALDH1A1KMT2A
Diethylcarbamazine SCHEMBL1819685 0.75 HTR1A (1.00) HTR1APOLBKDM4EALDH1A1KMT2A
Diethylcarbamazine SCHEMBL10412471 0.73 HTR1A (0.96) HTR1APOLBKDM4EALDH1A1KMT2A
SCHEMBL2420417 0.73 HTR1A (0.62) HTR1APOLBKDM4EALDH1A1KMT2A
SCHEMBL4612540 0.73 HTR1A (0.62) HTR1APOLBKDM4EALDH1A1KMT2A
SCHEMBL11508763 0.73 HTR1A (0.68) HTR1APOLBKDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564204-A1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS The University of Tokyo (JP) 2019-11-06 EP disclosed
EP-3045445-B1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS UNIV TOKYO (JP) 2019-08-07 EP disclosed
EP-2606021-B1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS UNIV TOKYO (JP) 2019-07-31 EP disclosed
EP-3045445-A1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS THE UNIVERSITY OF TOKYO (JP) 2016-07-20 EP disclosed
US-9359279-B2 Treatment of cancer, inflammatory disease, and autoimmune disease ALLIANZ PHARMASCIENCE LTD. (TW) 2016-06-07 US disclosed
US-20140371177-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASE, AND AUTOIMMUNE DISEASE ALLIANZ PHARMASCIENCE LTD. (TW) 2014-12-18 US disclosed
US-8822732-B2 1,5-diphenyl-penta-1,4-dien-3-one compounds ANDROSCIENCE CORPORATION (US) 2014-09-02 US disclosed
EP-2606021-A2 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS The University of Tokyo (JP) 2013-06-26 EP disclosed
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2013-01-24 US disclosed
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2013-01-24 US disclosed
WO-2012024282-A2 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS SHIH CHARLES C-Y (US) 2012-02-23 WO disclosed
US-20120046247-A1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS ALLIANZ PHARMASCIENCE LTD. (TW) 2012-02-23 US disclosed
EP-2233479-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER Liverpool School of Tropical Medicine (GB) 2010-09-29 EP disclosed
US-20100113436-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2010-05-06 US disclosed
US-20100113436-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2010-05-06 US disclosed
WO-2008038030-A2 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2008-04-03 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-20120046247-A1 1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE COMPOUNDS PDCD5, IL5, MALT1 HTR1A 1488/4885POLB 1655/4885KDM4E 1325/4885
US-20140371177-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASE, AND AUTOIMMUNE DISEASE PHOSPHO1, SELENOI, CD2 HTR1A 4292/4885POLB 1550/4885KDM4E 433/4885
US-20100113436-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER NR1H2, NR1H3, NR1I2 HTR1A 1950/4885POLB 2091/4885KDM4E 2301/4885
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS NR1H3, NR1H2, NR1I2 HTR1A 1041/4885POLB 1923/4885KDM4E 2312/4885

“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.