SCHEMBL94128

SCHEMBL94128

CCN(CC)CCOC(=O)c1ccc(NC)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.68
TSHR P16473 3/20 0.68
MAOA P21397 3/20 0.68
CYP2D6 P10635 3/20 0.68
HTR3A P46098 1/20 0.68
BLM P54132 2/20 0.67
NPSR1 Q6W5P4 1/20 0.67
LMNA P02545 4/20 0.65
SCN1A P35498 4/20 0.65
SCN2A Q99250 4/20 0.65
SCN3A Q9NY46 4/20 0.65
ATM Q13315 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 1/20 0.54
CYP1A2 P05177 3/20 0.52
KCNH2 Q12809 3/20 0.52
SIGMAR1 Q99720 2/20 0.52
SLC6A3 Q01959 2/20 0.52

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
SCHEMBL4295410 0.88 HRH3 (0.68) HRH3TSHRMAOACYP2D6HTR3A
SCHEMBL6677 0.87 HRH3 (0.67) HRH3TSHRMAOACYP2D6HTR3A
SCHEMBL9576578 0.87 HRH3 (0.71) HRH3TSHRMAOACYP2D6HTR3A
SCHEMBL9865362 0.85 SMN1; SMN2 (0.65) HRH3TSHRMAOACYP2D6HTR3A
Hydrochloric Acid SCHEMBL24097 0.85 BLM (0.68) HRH3TSHRMAOACYP2D6HTR3A
Water SCHEMBL8171709 0.85 HRH3 (0.65) HRH3TSHRMAOACYP2D6HTR3A
Iodide SCHEMBL1022754 0.85 HRH3 (0.65) HRH3TSHRMAOACYP2D6HTR3A
Hydrochloric Acid SCHEMBL9543350 0.85 BLM (0.72) HRH3TSHRMAOACYP2D6HTR3A
SCHEMBL3364980 0.85 HPGD (0.68) HRH3TSHRMAOACYP2D6HTR3A
SCHEMBL23663776 0.84 PHLPP2 (0.67) HRH3TSHRMAOACYP2D6HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220016046-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2022-01-20 US claimed
US-20210290561-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2021-09-23 US claimed
US-20210186906-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-24 US claimed
US-9603817-B2 Methods, compositions, and kits for treating pain and pruritis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-03-28 US claimed
US-20150087714-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2015-03-26 US claimed
EP-2101819-B1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS HARVARD COLLEGE (US) 2013-01-09 EP claimed
US-20120172429-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI- INFLAMMATORY AGENTS THE GENERAL HOSPITAL CORPORATION 2012-07-05 US claimed
CN-102112121-A Methods, compositions, and kits for treating pain and pruritis HARVARD COLLEGE 2011-06-29 CN claimed
JP-2011513484-A 2011-04-28 JP claimed
US-20110086818-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITUS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2011-04-14 US claimed
EP-2271329-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS President and Fellows of Harvard College (US) 2011-01-12 EP claimed
US-20100099772-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-22 US claimed
CN-101610789-A Methods, compositions and kits for treating pain and itch HARVARD COLLEGE (US) 2009-12-23 CN claimed
EP-2101819-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-09-23 EP claimed
WO-2009114139-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-09-17 WO claimed
WO-2008063603-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-05-29 WO claimed
EP-3485881-B1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS HARVARD COLLEGE (US) 2024-03-13 EP disclosed
US-20230346942-A1 MACROMOLECULAR PRODRUGS FOR LIGHT-EMITTING DIODES AND USES THEREOF CHILDREN'S MEDICAL CENTER CORPORATION (US) 2023-11-02 US disclosed
US-5252563-A 5,6,7,8-tetrahydro-imidazo[1,2-a]pyrimidine compounds for treatment of neurotoxic injury G. D. SEARLE & COMPANY (US) 1993-10-12 US disclosed
US-5216003-A Antihypoxic, antiischemic agents G. D. SEARLE & CO. (US) 1993-06-01 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 (8 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-20120172429-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI- INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 HRH3 251/4885TSHR 4201/4885MAOA 3680/4885
US-20110086818-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITUS TRPV1, OPRL1, ITCH HRH3 151/4885TSHR 3892/4885MAOA 2901/4885
US-20100099772-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS TRPV1, TRPV2, TRPV3 HRH3 122/4885TSHR 744/4885MAOA 1318/4885
US-20150087714-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS TRPV1, TRPV2, TRPA1 HRH3 135/4885TSHR 844/4885MAOA 1400/4885
US-20210290561-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 HRH3 251/4885TSHR 4201/4885MAOA 3680/4885
US-20220016046-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CACNA1B, TRPV1, ORAI1 HRH3 271/4885TSHR 4135/4885MAOA 3776/4885
US-20210186906-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS TRPV1, TRPV2, TRPV3 HRH3 122/4885TSHR 744/4885MAOA 1318/4885
US-20230346942-A1 MACROMOLECULAR PRODRUGS FOR LIGHT-EMITTING DIODES AND USES THEREOF CRY1, MAPT, PYGL HRH3 2923/4885TSHR 4119/4885MAOA 885/4885

“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.