SCHEMBL546071

SCHEMBL546071

CNC(C)(C)c1ccc2c(c1)OCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A4 P31645 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CYP3A4 P08684 2/20 0.42
TRPV1 Q8NER1 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL5293402 0.81 MAPT (0.43) SLC6A2SLC6A3CYP2D6SLC6A4TAAR1
SCHEMBL30567467 0.80 ALDH1A1 (0.52) SLC6A2SLC6A3SLC6A4TAAR1CYP3A4
SCHEMBL85405 0.80 ALDH1A1 (0.52) SLC6A2SLC6A3SLC6A4TAAR1CYP3A4
SCHEMBL11670010 0.77 ALDH1A1 (0.52) CYP2D6CYP3A4MAPTALDH1A1MEN1
SCHEMBL14349288 0.77 CYP3A4 (0.45) SLC6A2SLC6A3SLC6A4TAAR1CYP3A4
SCHEMBL8284590 0.77 CYP3A4 (0.45) SLC6A2SLC6A3SLC6A4TAAR1CYP3A4
SCHEMBL933157 0.77 CYP3A4 (0.50) SLC6A2SLC6A3CYP3A4TRPV1MAPT
SCHEMBL22338921 0.77 CYP3A4 (0.45) SLC6A2SLC6A3SLC6A4TAAR1CYP3A4
SCHEMBL20222611 0.77 CYP3A4 (0.45) SLC6A2SLC6A3SLC6A4TAAR1CYP3A4
SCHEMBL5288474 0.77 CYP3A4 (0.45) SLC6A2SLC6A3SLC6A4TAAR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007016190-A2 ANTIPARKINSONIAN ACTION OF PHENYLISOPROPYLAMINES DUKE UNIVERSITY (US) 2007-02-08 WO claimed
US-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 US claimed
US-11352347-B2 Dantrolene prodrugs and methods of their use Eagle Research Labs Limited (MT) 2022-06-07 US disclosed
US-20210236467-A1 DANTROLENE FORMULATIONS AND METHODS OF THEIR USE EAGLE PHARMACEUTICALS, INC. 2021-08-05 US disclosed
EP-3796889-A1 DANTROLENE FORMULATIONS AND METHODS OF THEIR USE Eagle Pharmaceuticals, Inc. (US) 2021-03-31 EP disclosed
US-20210015796-A1 TREATMENT USING DANTROLENE LYOTROPIC THERAPEUTICS INC (US) 2021-01-21 US disclosed
EP-1603513-B1 DANTROLENE COMPOSITIONS LYOTROPIC THERAPEUTICS INC (US) 2020-12-30 EP disclosed
US-10821098-B2 Treatment using dantrolene LYOTROPIC THERAPEUTICS, INC. (US) 2020-11-03 US disclosed
EP-3697779-A1 DANTROLENE PRODRUGS AND METHODS OF THEIR USE EAGLE RESEARCH LABS LIMITED (MT) 2020-08-26 EP disclosed
US-20200239455-A1 DANTROLENE PRODRUGS AND METHODS OF THEIR USE Eagle Research Labs Limited 2020-07-30 US disclosed
CN-111344286-A Dantrolene prodrugs and methods of use thereof 伊格尔研究实验室有限公司 2020-06-26 CN disclosed
US-8110225-B2 Treatment using dantrolene LYOTROPIC THERAPEUTICS, INC. (US) 2012-02-07 US disclosed
US-7758890-B2 Treatment using dantrolene LYOTROPIC THERAPEUTICS, INC. (US) 2010-07-20 US disclosed
US-20100160400-A1 TREATMENT USING DANTROLENE LYOTROPIC THERAPEUTICS, INC. (US) 2010-06-24 US disclosed
WO-2007016190-A2 ANTIPARKINSONIAN ACTION OF PHENYLISOPROPYLAMINES DUKE UNIVERSITY (US) 2007-02-08 WO disclosed
US-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 US disclosed
EP-1603513-A2 TREATMENT USING DANTROLENE Lyotropic Therapeutics, Inc. (US) 2005-12-14 EP disclosed
WO-2005013919-A2 TREATMENT USING DANTROLENE LYOTROPIC THERAPEUTICS, INC. (US) 2005-02-17 WO disclosed
US-20040242646-A1 Dantrolene as anesthetics for pumping injection LYOTROPIC THERAPEUTICS, INC. 2004-12-02 US disclosed
US-5411965-A Use of delta opioid receptor antagonists to treat cocaine abuse ARIZONA BOARD OF REGENTS (US) 1995-05-02 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 (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-20070027208-A1 Antiparkinsonian Action of Phenylisopropylamines PNMT, SNCA, COMT SLC6A2 97/4885SLC6A3 36/4885CYP2D6 547/4885
US-20200239455-A1 DANTROLENE PRODRUGS AND METHODS OF THEIR USE BID, TPMT, CES2 SLC6A2 1224/4885SLC6A3 680/4885CYP2D6 62/4885
US-20210236467-A1 DANTROLENE FORMULATIONS AND METHODS OF THEIR USE SMN1; SMN2, LIPA, LCLAT1 SLC6A2 88/4885SLC6A3 39/4885CYP2D6 827/4885
US-11352347-B2 Dantrolene prodrugs and methods of their use BID, TPMT, CES2 SLC6A2 1224/4885SLC6A3 680/4885CYP2D6 62/4885

“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.