SCHEMBL16615968

SCHEMBL16615968

CCCCCCCCCCCC(=O)OCCC.CCCCCCCCCCCCOC(=O)C(C)O

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.62
MAPT P10636 1/20 0.58
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
NAAA Q02083 1/20 0.53
DNM1 Q05193 1/20 0.53
LMNA P02545 4/20 0.51
KDM4E B2RXH2 1/20 0.51
DUSP3 P51452 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR2C P28335 1/20 0.51
ALDH1A1 P00352 1/20 0.49
PAM P19021 2/20 0.49

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
SCHEMBL14166378 0.97 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL4269367 0.97 DGKA (0.67) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL19378376 0.90 MAPT (0.58) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL8211006 0.89 DGKA (0.57) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL326500 0.89 DGKA (0.57) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL16062674 0.88 DGKA (0.57) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL31126283 0.88 DGKA (0.80) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL31493856 0.88 DGKA (0.80) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL31126278 0.88 DGKA (0.80) DGKAMAPTPRSS1PRSS2PRSS3
SCHEMBL15130569 0.88 DGKA (0.80) DGKAMAPTPRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3054934-B1 METHODS AND COMPOSITIONS FOR TREATING WITHDRAWAL SYNDROMES USING NON-SEDATIVE DEXMEDETOMIDINE TRANSDERMAL COMPOSITIONS TEIKOKU PHARMA USA INC (US) 2024-05-22 EP disclosed
US-10874642-B2 Methods and compositions for treating attention deficit hyperactivity disorder, anxiety and insomnia using dexmedetomidine transdermal compositions TEIKOKU PHARMA USA, INC. (US) 2020-12-29 US disclosed
EP-3054931-B1 TRANSDERMAL DELIVERY DEVICE FOR MANAGING PAIN COMPRISING DEXMEDETOMIDINE TRANSDERMAL COMPOSITIONS TEIKOKU PHARMA USA INC (US) 2020-12-23 EP disclosed
EP-3054935-B1 METHODS AND COMPOSITIONS FOR TREATING ATTENTION DEFICIT HYPERACTIVITY DISORDER, ANXIETY AND INSOMNIA USING DEXMEDETOMIDINE TRANSDERMAL COMPOSITIONS TEIKOKU PHARMA USA INC (US) 2020-12-09 EP disclosed
EP-3054932-B1 DEXMEDETOMIDINE TRANSDERMAL DELIVERY DEVICES AND METHODS FOR USING THE SAME TEIKOKU PHARMA USA INC (US) 2020-12-09 EP disclosed
EP-3054930-B1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF A NON-SEDATIVE AMOUNT OF DEXMEDETOMIDINE TEIKOKU PHARMA USA INC (US) 2020-12-02 EP disclosed
US-20200093800-A1 Methods and Compositions for Treating Attention Deficit Hyperactivity Disorder, Anxiety and Insomnia Using Dexmedetomidine Transdermal Compositions TEIKOKU PHARMA USA, INC. 2020-03-26 US disclosed
US-20180117012-A1 Methods of Managing Pain Using Dexmedetomidine Transdermal Delivery Devices TEIKOKU PHARMA USA, INC. 2018-05-03 US disclosed
US-20150098981-A1 Methods and Compositions for Transdermal Delivery of a Non-Sedative Amount of Dexmedetomidine TEIKOKU PHARMA USA, INC. 2015-04-09 US disclosed
US-20150098983-A1 Methods and Compositions for Treating Withdrawal Syndromes Using Non-Sedative Dexmedetomidine Transdermal Compositions TEIKOKU PHARMA USA, INC. 2015-04-09 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 (5 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-10874642-B2 Methods and compositions for treating attention deficit hyperactivity disorder, anxiety and insomnia using dexmedetomidine transdermal compositions ADRA2C, ADRA2A, DRD2 DGKA 474/4885MAPT 191/4885PRSS1 4815/4885
US-20180117012-A1 Methods of Managing Pain Using Dexmedetomidine Transdermal Delivery Devices OPRL1, OPRK1, AVPR2 DGKA 698/4885MAPT 2110/4885PRSS1 4047/4885
US-20150098981-A1 Methods and Compositions for Transdermal Delivery of a Non-Sedative Amount of Dexmedetomidine ADRA2C, ADRA2B, ADRA2A DGKA 444/4885MAPT 1498/4885PRSS1 4798/4885
US-20150098983-A1 Methods and Compositions for Treating Withdrawal Syndromes Using Non-Sedative Dexmedetomidine Transdermal Compositions CRH, OPRD1, ADRA2C DGKA 338/4885MAPT 979/4885PRSS1 4168/4885
US-20200093800-A1 Methods and Compositions for Treating Attention Deficit Hyperactivity Disorder, Anxiety and Insomnia Using Dexmedetomidine Transdermal Compositions ADRA2C, ADRA2A, DRD2 DGKA 474/4885MAPT 191/4885PRSS1 4815/4885

“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.