SCHEMBL16080791

SCHEMBL16080791

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

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 9/20 0.69
▸ HSD11B1 P28845 1/20 0.53
▸ KMT2A Q03164 2/20 0.49
▸ ELANE P08246 1/20 0.47
▸ RBP4 P02753 1/20 0.46
▸ TTR P02766 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ CYP2C19 P33261 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL29512279 1.00 OPRK1 (0.69) OPRK1HSD11B1KMT2AELANERBP4
SCHEMBL29512278 1.00 OPRK1 (0.69) OPRK1HSD11B1KMT2AELANERBP4
SCHEMBL16033841 0.86 OPRK1 (0.63) OPRK1KMT2ARBP4TTRCYP2C19
SCHEMBL16119769 0.86 OPRK1 (0.63) OPRK1KMT2ARBP4TTRCYP2C19
SCHEMBL16033842 0.86 OPRK1 (0.63) OPRK1KMT2ARBP4TTRCYP2C19
SCHEMBL16944518 0.82 OPRK1 (1.00) OPRK1
SCHEMBL3532211 0.81 OPRK1 (0.60) OPRK1HSD11B1KMT2AELANEUSP2
SCHEMBL24297726 0.81 KMT2A (0.68) OPRK1KMT2ARBP4TTRCYP2C19
SCHEMBL16034182 0.81 KMT2A (0.68) OPRK1KMT2ARBP4TTRCYP2C19
SCHEMBL2454645 0.79 OPRK1 (0.57) OPRK1HSD11B1KMT2ALMNAMAPT

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 14 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
EP-2968299-B1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2021-01-20 — — EP disclosed
US-20170355713-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN BIOPHARMA CREDIT PLC (GB) 2017-12-14 — — 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-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-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-20160031904-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. (US) 2016-02-04 — — US disclosed
WO-2014150258-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. (US) 2014-09-25 — — WO disclosed
US-20140275181-A1 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. 2014-09-18 — — 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 (5 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 3114/4885HSD11B1 1214/4885KMT2A 2167/4885
US-20220119407-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB OPRK1 3114/4885HSD11B1 1214/4885KMT2A 2167/4885
US-20160031904-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB OPRK1 3114/4885HSD11B1 1214/4885KMT2A 2167/4885
US-20170355713-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB OPRK1 3114/4885HSD11B1 1214/4885KMT2A 2167/4885
US-20220402940-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB OPRK1 3114/4885HSD11B1 1214/4885KMT2A 2167/4885

“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.

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