SCHEMBL21223652

SCHEMBL21223652

COc1ccccc1-c1ccc(N)nc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
MCHR1 Q99705 2/20 0.45
ADORA2A P29274 2/20 0.44
ADORA1 P30542 1/20 0.44
ALDH1A1 P00352 6/20 0.44
GAA P10253 2/20 0.44
HSD17B10 Q99714 1/20 0.44
JAK2 O60674 1/20 0.43
HSP90AA1 P07900 2/20 0.43
HSP90AB1 P08238 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IKBKB O14920 1/20 0.39
AKR1C3 P42330 1/20 0.39

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
SCHEMBL21223648 0.80 APP (0.52) APPMCHR1ADORA2AADORA1ALDH1A1
SCHEMBL21244573 0.79 APP (0.50) APPMCHR1ADORA2AADORA1ALDH1A1
SCHEMBL21223406 0.79 HSP90AA1 (0.50) APPMCHR1ADORA2AADORA1ALDH1A1
SCHEMBL15091220 0.78 MCHR1 (0.46) MCHR1ALDH1A1GAAKDM4E
SCHEMBL28064741 0.78 HSP90AA1 (0.51) APPMCHR1ADORA2AADORA1ALDH1A1
SCHEMBL21223604 0.78 APP (0.49) APPMCHR1ADORA2AADORA1ALDH1A1
SCHEMBL21223050 0.76 ALDH1A1 (0.50) APPMCHR1ADORA2AADORA1ALDH1A1
SCHEMBL21223628 0.74 APP (0.45) APPMCHR1ADORA2AADORA1ALDH1A1
SCHEMBL30237778 0.74 ALDH1A1 (0.43) APPADORA2AADORA1ALDH1A1GAA
SCHEMBL28421697 0.74 ALDH1A1 (0.43) APPADORA2AADORA1ALDH1A1GAA

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 6 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
CN-111683660-A Compounds and compositions for the treatment of pain 斯特拉斯堡大学 2020-09-18 CN claimed
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

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 APP 2670/4885MCHR1 3276/4885ADORA2A 225/4885

“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.