SCHEMBL21223633

SCHEMBL21223633

Cc1ccccc1-c1c(C)cc(N)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 4/20 0.44
▸ BACE1 P56817 2/20 0.43
▸ HEXA P06865 1/20 0.43
▸ HEXB P07686 1/20 0.43
▸ CTSD P07339 1/20 0.43
▸ DHFR P00374 1/20 0.42
▸ PLA2G7 Q13093 1/20 0.41
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ KDR P35968 1/20 0.38

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
SCHEMBL21223501 0.82 HEXA (0.53) RENBACE1HEXAHEXBCTSD
SCHEMBL23367880 0.73 MAP2 (0.43) HEXAHEXBPLA2G7CYP1A1CYP1A2
SCHEMBL8444832 0.72 HEXA (0.41) HEXAHEXBCYP1A2ADORA2AKDM4E
SCHEMBL30152481 0.72 HEXA (0.41) HEXAHEXBCYP1A2ADORA2AKDM4E
SCHEMBL28233418 0.72 HSP90AA1 (0.54) BACE1HEXAHEXBCTSDDHFR
SCHEMBL7709062 0.72 BACE1 (0.57) BACE1CTSDDHFRADORA2AKDM4E
SCHEMBL14744241 0.71 PLA2G7 (0.55) BACE1HEXAHEXBCTSDDHFR
SCHEMBL13139655 0.69 REN (0.58) RENBACE1CTSDDHFRNUDT1
SCHEMBL21223476 0.69 REN (0.55) RENNUDT1
SCHEMBL21287270 0.69 NOS3 (0.41) BACE1KDM4EALDH1A1MAPTNOS3

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 4 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 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 REN 2671/4885BACE1 3964/4885HEXA 1729/4885

“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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