SCHEMBL21223293

SCHEMBL21223293

CCCCOc1ccccc1-c1ccc(N)nc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.57
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
TLR8 Q9NR97 4/20 0.50
CYP19A1 P11511 1/20 0.49
PDE5A O76074 3/20 0.46
PDE4A P27815 3/20 0.46
PDE4B Q07343 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44
PRKCD Q05655 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
SCHEMBL263965 0.87 MCHR1 (0.43) MCHR1NCF1
SCHEMBL21223574 0.86 DHFR (0.49) MCHR1TLR8PDE5ANPC1RAB9A
SCHEMBL21222941 0.85 NCF1 (0.42) MCHR1NCF1
SCHEMBL21223572 0.79 TLR8 (0.50) MCHR1TLR8PDE5APDE4APDE4B
SCHEMBL23665203 0.78 MCHR1 (0.50) MCHR1TLR8MEN1NPC1MAPT
SCHEMBL21223648 0.78 APP (0.52) MCHR1NPC1RAB9A
SCHEMBL21223632 0.78 LTA4H (0.54) TLR8CYP19A1PDE5APDE4APDE4B
Hydrochloric Acid SCHEMBL23646291 0.77 LTA4H (0.53) TLR8CYP19A1PDE5APDE4APDE4B
SCHEMBL23665199 0.77 MCHR1 (0.48) MCHR1TLR8MEN1NPC1MAPT
SCHEMBL263783 0.76 MCHR1 (0.48) MCHR1TLR8PDE5AMEN1NPC1

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 8 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
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 MCHR1 3276/4885CYP1A2 397/4885CYP2C9 756/4885

“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.