SCHEMBL21223045

SCHEMBL21223045

Nc1ccc(-c2ccc3ccccc3c2C=O)c(N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.47
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
GAA P10253 2/20 0.38
NCF1 P14598 2/20 0.38
NOS2 P35228 2/20 0.38
BACE1 P56817 2/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
F12 P00748 1/20 0.36
PLAU P00749 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36

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
SCHEMBL29391032 0.83 ERN1 (0.64) ERN1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL808500 0.83 ERN1 (0.64) ERN1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL21222956 0.76 DHFR (0.47) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL4419098 0.73 MEN1 (0.41) MAPTCYP1A2CYP2C9CYP2C19NPC1
SCHEMBL3071898 0.73 ERN1 (0.56) ERN1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL23234176 0.72 ERN1 (0.51) ERN1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL249731 0.72 ERN1 (0.71) ERN1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL1664873 0.72 ERN1 (0.60) ERN1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL29952157 0.72 ERN1 (0.60) ERN1MAPTCYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL2951291 0.71 ERN1 (0.58) ERN1MAPTCYP1A2CYP2C9CYP2C19

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 3 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
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 ERN1 4188/4885MAPT 572/4885CYP1A2 397/4885

“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.