SCHEMBL21808533

SCHEMBL21808533

Cc1cc(OC(=O)N2CCN(C)CC2)n(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.48
▸ MGLL Q99685 1/20 0.46
▸ NTRK1 P04629 1/20 0.46
▸ TSHR P16473 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ADORA2A P29274 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ P2RY1 P47900 1/20 0.43
▸ KCNJ6 P48051 1/20 0.42
▸ KCNJ5 P48544 1/20 0.42
▸ KCNJ3 P48549 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ FAAH O00519 1/20 0.42

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
Hydrochloric Acid SCHEMBL21808492 0.99 HRH3 (0.47) HRH3MGLLNTRK1TSHRLMNA
SCHEMBL23668147 0.90 NTRK1 (0.46) NTRK1TSHRLMNAGAAKMT2A
SCHEMBL23668124 0.88 TSHR (0.52) NTRK1TSHRLMNAGAAKMT2A
SCHEMBL21845297 0.85 GAA (0.43) NTRK1TSHRLMNAGAAKMT2A
SCHEMBL21808515 0.84 P2RY12 (0.43) NTRK1TSHRLMNAGAAKMT2A
SCHEMBL23668130 0.84 P2RY12 (0.43) NTRK1TSHRLMNAGAAKMT2A
Hydrochloric Acid SCHEMBL21808300 0.84 GAA (0.42) NTRK1TSHRLMNAGAAKMT2A
Hydrochloric Acid SCHEMBL23668150 0.83 P2RY12 (0.42) NTRK1TSHRLMNAGAAKMT2A
Hydrochloric Acid SCHEMBL23668149 0.83 P2RY12 (0.42) NTRK1TSHRLMNAGAAKMT2A
SCHEMBL23680073 0.83 GAA (0.42) NTRK1TSHRLMNAGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427547-B2 Edaravone prodrug compound and pharmaceutical use thereof in treatment or alleviation of neurodegenerative or motor neuron disease J2H BIOTECH INC. (KR) 2022-08-30 — — US disclosed
US-20220033359-A1 EDARAVONE PRODRUG COMPOUND AND PHARMACEUTICAL USE THEREOF IN TREATMENT OR ALLEVIATION OF NEURODEGENERATIVE OR MOTOR NEURON DISEASE Theragen Etex Co., Ltd (KR) 2022-02-03 — — US disclosed
US-20220033359-A1 EDARAVONE PRODRUG COMPOUND AND PHARMACEUTICAL USE THEREOF IN TREATMENT OR ALLEVIATION OF NEURODEGENERATIVE OR MOTOR NEURON DISEASE Theragen Etex Co., Ltd (KR) 2022-02-03 — — US disclosed
EP-3854787-A1 EDARAVONE PRODRUG COMPOUND AND PHARMACEUTICAL USE THEREOF IN TREATMENT OR ALLEVIATION OF NEURODEGENERATIVE OR MOTOR NEURON DISEASE J2H Biotech Inc. (KR) 2021-07-28 — — EP disclosed
CN-112714760-A Edaravone prodrug compound and medical application thereof in treating or improving neurodegenerative or motor neuron diseases J2H生物科技有限公司 2021-04-27 — — CN disclosed
WO-2020060092-A1 EDARAVONE PRODRUG COMPOUND AND PHARMACEUTICAL USE THEREOF IN TREATMENT OR ALLEVIATION OF NEURODEGENERATIVE OR MOTOR NEURON DISEASE 제이투에이치바이오텍 주식회사 2020-03-26 — — WO disclosed
WO-2020060092-A1 EDARAVONE PRODRUG COMPOUND AND PHARMACEUTICAL USE THEREOF IN TREATMENT OR ALLEVIATION OF NEURODEGENERATIVE OR MOTOR NEURON DISEASE 제이투에이치바이오텍 주식회사 2020-03-26 — — 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 (2 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-11427547-B2 Edaravone prodrug compound and pharmaceutical use thereof in treatment or alleviation of neurodegenerative or motor neuron disease SMN1; SMN2, NLN, EDNRA HRH3 3779/4885MGLL 4344/4885NTRK1 1439/4885
US-20220033359-A1 EDARAVONE PRODRUG COMPOUND AND PHARMACEUTICAL USE THEREOF IN TREATMENT OR ALLEVIATION OF NEURODEGENERATIVE OR MOTOR NEURON DISEASE SMN1; SMN2, NLN, EDNRA HRH3 3779/4885MGLL 4344/4885NTRK1 1439/4885

“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