SCHEMBL21223636

SCHEMBL21223636

CCc1nc(N)ccc1-c1cccc(Cl)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
REN P00797 5/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 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
Hydrochloric Acid SCHEMBL21223466 0.98 ALDH1A1 (0.41) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL21223512 0.86 NUDT1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29496028 0.85 BACE1 (0.46) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL21223370 0.82 ALDH1A1 (0.46) ALDH1A1NOS3NOS2IDO1KDM4E
SCHEMBL29495695 0.74 MCHR1 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22969237 0.74 MCHR1 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21223515 0.74 KDM4E (0.49) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL22969587 0.74 METAP2 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29495939 0.74 METAP2 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21355930 0.74 GABRP (0.52) ALDH1A1GABRPGABRDGABRA1GABRB1

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 ALDH1A1 917/4885GABRP 905/4885GABRD 1089/4885

“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.