SCHEMBL21223476

SCHEMBL21223476

Cc1cc(N)nc(C)c1-c1cccc(Cl)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 4/20 0.55
▸ NUDT1 P36639 5/20 0.44
▸ CYP2D6 P10635 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ SCN4A P35499 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ SCN5A Q14524 1/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ SCN2A Q99250 1/20 0.42
▸ SCN3A Q9NY46 1/20 0.42
▸ SCN10A Q9Y5Y9 1/20 0.42
▸ PTPN11 Q06124 8/20 0.41

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
SCHEMBL13139655 0.79 REN (0.58) RENNUDT1
SCHEMBL6049565 0.76 DHFR (0.60) NUDT1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL4504455 0.76 NUDT1 (0.47) NUDT1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL11014245 0.73 KMT2A (0.48) RENCYP2D6ADRA1A
SCHEMBL21223480 0.73 NUDT1 (0.45) NUDT1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL11015615 0.73 BACE1 (0.52) REN
SCHEMBL21223783 0.72 REN (0.51) REN
SCHEMBL21223152 0.72 EPHB4 (0.45) NUDT1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL25835392 0.71 PTPN11 (0.60) PTPN11
SCHEMBL29721960 0.69 NOS2 (0.44) RENMAOAADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 — — US claimed
EP-3749305-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Université de Strasbourg (FR) 2020-12-16 — — EP claimed
CN-111683660-A Compounds and compositions for the treatment of pain 斯特拉斯堡大学 2020-09-18 — — CN claimed
WO-2019149965-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITE DE STRASBOURG (FR) 2019-08-08 — — WO claimed
US-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 — — US disclosed
US-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 — — US disclosed
EP-3749305-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Université de Strasbourg (FR) 2020-12-16 — — EP disclosed
CN-111683660-A Compounds and compositions for the treatment of pain 斯特拉斯堡大学 2020-09-18 — — CN disclosed
WO-2019149965-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITE DE STRASBOURG (FR) 2019-08-08 — — WO disclosed
WO-2019149965-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITE DE STRASBOURG (FR) 2019-08-08 — — 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 (1 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-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ACHE, TRPV1, OPRL1 REN 2671/4885NUDT1 972/4885CYP2D6 440/4885

“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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