SCHEMBL7238484

SCHEMBL7238484

COC(=O)c1cccnc1N1CCN(C)CC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHIA Q9BZP6 1/20 0.66
OPRK1 P41145 7/20 0.55
HRH3 Q9Y5N1 1/20 0.55
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 2/20 0.50

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
SCHEMBL16100517 0.95 CHIA (0.60) CHIAOPRK1HRH3MAPTLMNA
SCHEMBL7241637 0.89 OPRK1 (0.55) CHIAOPRK1HRH3MAPTLMNA
SCHEMBL38658667 0.88 L3MBTL1 (0.62) OPRK1HRH3MAPTLMNAL3MBTL1
SCHEMBL30397636 0.88 L3MBTL1 (0.62) OPRK1HRH3MAPTLMNAL3MBTL1
SCHEMBL7242883 0.85 MAPT (0.59) CHIAOPRK1HRH3MAPTLMNA
SCHEMBL14488641 0.85 MAPT (0.72) CHIAOPRK1HRH3MAPTLMNA
SCHEMBL6965268 0.84 OPRK1 (0.56) OPRK1HRH3MAPTLMNAL3MBTL1
SCHEMBL16105029 0.84 OPRK1 (0.61) OPRK1HRH3MAPTLMNA
SCHEMBL394318 0.84 OPRK1 (0.54) CHIAOPRK1HRH3MAPTLMNA
SCHEMBL593819 0.84 KMT2A (0.69) CHIAMAPTLMNAL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402940-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2022-12-22 US disclosed
US-20220119407-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2022-04-21 US disclosed
US-11236109-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-02-01 US disclosed
EP-2968299-B1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2021-01-20 EP disclosed
US-20200048280-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2020-02-13 US disclosed
US-10266551-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-04-23 US disclosed
US-20160031904-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. (US) 2016-02-04 US disclosed
EP-2968299-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN Global Blood Therapeutics, Inc. (US) 2016-01-20 EP disclosed
WO-2014150258-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. (US) 2014-09-25 WO disclosed
US-6562827-B1 For the treatment of diseases in which increased calpain activity occurs such as neurodegenerative diseases or neuronal damage are caused by ischemia, trauma or mass hemorrhages ABBOTT LABORATORIES 2003-05-13 US disclosed
EP-0385350-B1 Pyridinecarboxylic acid amide derivatives and pharmaceutical compositions comprising same NISSHIN FLOUR MILLING CO (JP) 1994-11-30 EP disclosed
US-4994456-A Hypotensive agents NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-02-19 US disclosed
EP-0385350-A1 Pyridinecarboxylic acid amide derivatives and pharmaceutical compositions comprising same NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-09-05 EP 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 (6 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-20220119407-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB CHIA 2826/4885OPRK1 3114/4885HRH3 3914/4885
US-20160031904-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB CHIA 2826/4885OPRK1 3114/4885HRH3 3914/4885
US-10266551-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB CHIA 2826/4885OPRK1 3114/4885HRH3 3914/4885
US-20220402940-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB CHIA 2826/4885OPRK1 3114/4885HRH3 3914/4885
US-11236109-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB CHIA 2826/4885OPRK1 3114/4885HRH3 3914/4885
US-20200048280-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB CHIA 2826/4885OPRK1 3114/4885HRH3 3914/4885

“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.