SCHEMBL21244063

SCHEMBL21244063

CCN(CC)C(=O)c1ccccc1-c1ccc(N)nc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.51
▸ FEN1 P39748 1/20 0.51
▸ KEAP1 Q14145 1/20 0.48
▸ HCRTR1 O43613 4/20 0.41
▸ HCRTR2 O43614 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ OPRD1 P41143 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 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
Hydrochloric Acid SCHEMBL23646295 0.99 ALOX5AP (0.50) ALOX5APFEN1KEAP1HCRTR1HCRTR2
SCHEMBL3629779 0.77 KEAP1 (0.56) ALOX5APFEN1KEAP1HCRTR1HCRTR2
SCHEMBL22764233 0.74 KEAP1 (0.56) ALOX5APFEN1KEAP1HCRTR1HCRTR2
SCHEMBL14134227 0.74 TSHR (0.58) ALOX5APFEN1KEAP1HCRTR1HCRTR2
SCHEMBL9195598 0.74 KEAP1 (0.56) ALOX5APFEN1KEAP1MAPTNPC1
SCHEMBL14052340 0.73 KEAP1 (0.55) ALOX5APFEN1KEAP1HPGDMAPT
SCHEMBL29822323 0.73 TP53 (0.69) KEAP1HPGDMAPTTP53TSHR
SCHEMBL610480 0.73 TP53 (0.69) KEAP1HPGDMAPTTP53TSHR
SCHEMBL21223284 0.72 DHFR (0.48) ALOX5APFEN1MAPTSMN1; SMN2TSHR
SCHEMBL3629780 0.72 MEN1 (0.66) ALOX5APFEN1KEAP1HCRTR1HCRTR2

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 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
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 ALOX5AP 91/4885FEN1 4839/4885KEAP1 683/4885

“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.

Send feedback