SCHEMBL16100517

SCHEMBL16100517

COC(=O)c1cccnc1N1CCCN(C)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHIA Q9BZP6 1/20 0.60
OPRK1 P41145 7/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
HRH3 Q9Y5N1 1/20 0.51
MAPT P10636 2/20 0.49
PRKCQ Q04759 1/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 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
SCHEMBL7238484 0.95 CHIA (0.66) CHIAOPRK1L3MBTL1HRH3MAPT
SCHEMBL30397636 0.89 L3MBTL1 (0.62) OPRK1L3MBTL1HRH3MAPTLMNA
SCHEMBL38658667 0.89 L3MBTL1 (0.62) OPRK1L3MBTL1HRH3MAPTLMNA
SCHEMBL7241637 0.84 OPRK1 (0.55) CHIAOPRK1L3MBTL1HRH3MAPT
SCHEMBL2488542 0.81 OPRK1 (0.55) OPRK1L3MBTL1HRH3PRKCQMEN1
SCHEMBL7242883 0.81 MAPT (0.59) CHIAOPRK1L3MBTL1HRH3MAPT
SCHEMBL14488641 0.81 MAPT (0.72) CHIAOPRK1L3MBTL1HRH3MAPT
SCHEMBL6965268 0.80 OPRK1 (0.56) OPRK1L3MBTL1HRH3MAPTLMNA
SCHEMBL16105029 0.80 OPRK1 (0.61) OPRK1HRH3MAPTLMNACYP1A2
SCHEMBL394318 0.80 OPRK1 (0.54) CHIAOPRK1L3MBTL1HRH3MAPT

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 9 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

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 3114/4885L3MBTL1 2996/4885
US-20160031904-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB CHIA 2826/4885OPRK1 3114/4885L3MBTL1 2996/4885
US-10266551-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB CHIA 2826/4885OPRK1 3114/4885L3MBTL1 2996/4885
US-20220402940-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB CHIA 2826/4885OPRK1 3114/4885L3MBTL1 2996/4885
US-11236109-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB CHIA 2826/4885OPRK1 3114/4885L3MBTL1 2996/4885
US-20200048280-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB CHIA 2826/4885OPRK1 3114/4885L3MBTL1 2996/4885

“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.