SCHEMBL1740556

SCHEMBL1740556

OCCN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.59
HDAC2 Q92769 3/20 0.59
TSHR P16473 1/20 0.56
CYP3A4 P08684 5/20 0.53
CYP2D6 P10635 1/20 0.53
INSR P06213 1/20 0.49
IGF1R P08069 1/20 0.49
SRC P12931 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 2/20 0.47
GAA P10253 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47

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
SCHEMBL108372 0.86 TAAR1 (0.58) TSHRCYP3A4CYP2D6INSRIGF1R
SCHEMBL3556419 0.84 CYP3A4 (0.50) HDAC1HDAC2TSHRCYP3A4CYP2D6
SCHEMBL8623598 0.79 TSHR (0.52) TSHRCYP3A4CYP2D6TAAR1CYP1A2
SCHEMBL31260456 0.78 HDAC1 (0.62) HDAC1HDAC2TSHRCYP3A4ALDH1A1
SCHEMBL19512152 0.78 HDAC1 (0.62) HDAC1HDAC2TSHRCYP3A4ALDH1A1
SCHEMBL13103676 0.77 HDAC1 (0.48) HDAC1HDAC2TSHRCYP3A4CYP2D6
SCHEMBL834910 0.77 TAAR1 (0.67) HDAC1HDAC2CYP3A4CYP2D6TAAR1
SCHEMBL29644736 0.77 TAAR1 (0.67) HDAC1HDAC2CYP3A4CYP2D6TAAR1
SCHEMBL49914 0.76 CYP3A4 (0.65) CYP3A4CYP2D6TAAR1ALDH1A1CYP1A2
SCHEMBL189831 0.76 TAAR1 (0.60) CYP3A4CYP2D6TAAR1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200368169-A1 ABUSE-DETERRENT COMPOSITIONS PATHEON SOFTGELS INC (US) 2020-11-26 US disclosed
US-10772841-B2 Opioid abuse-deterrent controlled release formulations PATHEON SOFTGELS INC. (US) 2020-09-15 US disclosed
US-10772842-B2 Abuse-deterrent opioids PATHEON SOFTGELS INC. (US) 2020-09-15 US disclosed
US-10639301-B2 Use of flecainide as an anti-connexin agent and method for potentiating the effects of a psychotropic drug COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2020-05-05 US disclosed
US-10478429-B2 Abuse deterrent dosage forms Patheon Softgels, Inc. (US) 2019-11-19 US disclosed
US-10335405-B1 Non-burst releasing pharmaceutical composition Patheon Softgels, Inc. (US) 2019-07-02 US disclosed
US-10226432-B2 Enteric soft capsule compositions PATHEON SOFTGELS INC. (US) 2019-03-12 US disclosed
US-10182992-B2 Abuse-deterrent controlled release formulations PATHEON SOFTGELS INC. (US) 2019-01-22 US disclosed
US-20190008844-A1 Use of Flecainide as an Anti-Connexin Agent and Method for Potentiating the Effects of a Psychotropic Drug COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2019-01-10 US disclosed
US-10105321-B2 Pharmaceutical compositions resistant to abuse EGALET LTD. (GB) 2018-10-23 US disclosed
WO-2010149169-A2 CONTROLLED RELEASE FORMULATIONS EGALET A/S (DK) 2010-12-29 WO disclosed
US-20100239667-A1 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS FOR PROLONGED EFFECT EGALET A/S (DK) 2010-09-23 US disclosed
WO-2010088911-A1 PHARMACEUTICAL COMPOSITIONS RESISTANT TO ABUSE EGALET A/S (DK) 2010-08-12 WO disclosed
US-20100203130-A1 PHARMACEUTICAL COMPOSITIONS RESISTANT TO ABUSE EGALET A/S (DK) 2010-08-12 US disclosed
WO-2010089132-A1 IMMEDIATE RELEASE COMPOSITION RESISTANT TO ABUSE BY INTAKE OF ALCOHOL EGALET A/S (DK) 2010-08-12 WO disclosed
US-20100203129-A1 CONTROLLED RELEASE FORMULATIONS WITH CONTINUOUS EFFICACY EGALET A/S (DK) 2010-08-12 US disclosed
US-20100204259-A1 IMMEDIATE RELEASE COMPOSITION RESISTANT TO ABUSE BY INTAKE OF ALCOHOL EGALET A/S (DK) 2010-08-12 US disclosed
WO-2010083843-A1 CONTROLLED RELEASE FORMULATIONS WITH CONTINUOUS EFFICACY EGALET A/S (DK) 2010-07-29 WO disclosed
EP-2155167-A2 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS FOR PROLONGED EFFECT Egalet A/S (DK) 2010-02-24 EP disclosed
WO-2008148798-A2 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS FOR PROLONGED EFFECT EGALET A/S (DK) 2008-12-11 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 (7 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-10639301-B2 Use of flecainide as an anti-connexin agent and method for potentiating the effects of a psychotropic drug GJA1, GJB2, GAP43 HDAC1 4018/4885HDAC2 2101/4885TSHR 1668/4885
US-20190008844-A1 Use of Flecainide as an Anti-Connexin Agent and Method for Potentiating the Effects of a Psychotropic Drug GJA1, GJB2, GAP43 HDAC1 4018/4885HDAC2 2101/4885TSHR 1668/4885
US-20100203130-A1 PHARMACEUTICAL COMPOSITIONS RESISTANT TO ABUSE OPRK1, CES2, OPRM1 HDAC1 3273/4885HDAC2 3513/4885TSHR 4420/4885
US-20100204259-A1 IMMEDIATE RELEASE COMPOSITION RESISTANT TO ABUSE BY INTAKE OF ALCOHOL ADH1C, ADH1A, ADH5 HDAC1 1672/4885HDAC2 2130/4885TSHR 3595/4885
US-20100203129-A1 CONTROLLED RELEASE FORMULATIONS WITH CONTINUOUS EFFICACY ABCB11, CRH, LPXN HDAC1 3983/4885HDAC2 3695/4885TSHR 2224/4885
US-10105321-B2 Pharmaceutical compositions resistant to abuse OPRK1, CES2, OPRM1 HDAC1 3273/4885HDAC2 3513/4885TSHR 4420/4885
US-20100239667-A1 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS FOR PROLONGED EFFECT SI, GIPR, MLN HDAC1 3717/4885HDAC2 3152/4885TSHR 2887/4885

“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.