SCHEMBL16033842

SCHEMBL16033842

COC(=O)c1cccnc1N1CC[C@@H](F)C1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 12/20 0.63
▸ HRH3 Q9Y5N1 1/20 0.56
▸ KMT2A Q03164 2/20 0.52
▸ RBP4 P02753 1/20 0.48
▸ TTR P02766 1/20 0.48
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL16119769 1.00 OPRK1 (0.63) OPRK1HRH3KMT2ARBP4TTR
SCHEMBL16033841 1.00 OPRK1 (0.63) OPRK1HRH3KMT2ARBP4TTR
SCHEMBL16080791 0.86 OPRK1 (0.69) OPRK1HRH3KMT2ARBP4TTR
SCHEMBL29512279 0.86 OPRK1 (0.69) OPRK1HRH3KMT2ARBP4TTR
SCHEMBL29512278 0.86 OPRK1 (0.69) OPRK1HRH3KMT2ARBP4TTR
SCHEMBL24297726 0.84 KMT2A (0.68) OPRK1KMT2ARBP4TTRMAPT
SCHEMBL16034182 0.84 KMT2A (0.68) OPRK1KMT2ARBP4TTRMAPT
SCHEMBL16948661 0.83 OPRK1 (0.67) OPRK1HRH3KMT2A
SCHEMBL31317231 0.81 OPRK1 (0.58) OPRK1HRH3KMT2ALMNAMAPT
SCHEMBL29250075 0.81 OPRK1 (0.53) OPRK1HRH3KMT2ALMNAMAPT

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 12 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-20170355713-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN BIOPHARMA CREDIT PLC (GB) 2017-12-14 — — US disclosed
US-9802900-B2 Bicyclic heteroaryl compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-10-31 — — US disclosed
US-9604999-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-03-28 — — US disclosed
US-20160031904-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. (US) 2016-02-04 — — US disclosed
US-20150259296-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2015-09-17 — — US disclosed
US-20140275181-A1 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. 2014-09-18 — — 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 (9 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-20140275181-A1 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB OPRK1 3114/4885HRH3 3914/4885KMT2A 2167/4885
US-20220119407-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB OPRK1 3114/4885HRH3 3914/4885KMT2A 2167/4885
US-20160031904-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB OPRK1 3114/4885HRH3 3914/4885KMT2A 2167/4885
US-20170355713-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB OPRK1 3114/4885HRH3 3914/4885KMT2A 2167/4885
US-10266551-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB OPRK1 3114/4885HRH3 3914/4885KMT2A 2167/4885
US-20220402940-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB OPRK1 3114/4885HRH3 3914/4885KMT2A 2167/4885
US-11236109-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB OPRK1 3114/4885HRH3 3914/4885KMT2A 2167/4885
US-20200048280-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB OPRK1 3114/4885HRH3 3914/4885KMT2A 2167/4885
US-20150259296-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBB, HBG1 OPRK1 1955/4885HRH3 3437/4885KMT2A 1650/4885

“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.

Send feedback