SCHEMBL19176752

SCHEMBL19176752

O=C1C=CC(=O)N1CC1CCCCCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 3/20 0.45
CYP19A1 P11511 2/20 0.42
CHRM5 P08912 2/20 0.41
ADRA2C P18825 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
TRPA1 O75762 2/20 0.40
OPRL1 P41146 1/20 0.40
MGLL Q99685 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
FAAH O00519 2/20 0.39
GMNN O75496 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
BACE1 P56817 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
SCHEMBL1275809 1.00 CYP1B1 (0.45) CYP1B1CYP19A1CHRM5ADRA2CCHRM2
SCHEMBL21419553 1.00 CYP1B1 (0.45) CYP1B1CYP19A1CHRM5ADRA2CCHRM2
SCHEMBL20365061 0.93 CYP1B1 (0.44) CYP1B1CYP19A1TRPA1OPRL1MGLL
Bicarbonate SCHEMBL2319198 0.92 TRPA1 (0.46) CYP1B1CYP19A1TRPA1OPRL1
SCHEMBL485615 0.89 MGLL (0.44) CYP1B1MGLLALDH1A1NPSR1LMNA
SCHEMBL3828808 0.87 CYP1B1 (0.40) CYP1B1CYP19A1TRPA1MGLLALDH1A1
SCHEMBL29050171 0.82 MGLL (0.44) CYP1B1MGLLALDH1A1NPSR1LMNA
SCHEMBL18279974 0.82 TRPA1 (0.40) CYP1B1TRPA1ALDH1A1
SCHEMBL17961058 0.81 MGLL (0.38) CYP1B1MGLLALDH1A1NPSR1LMNA
SCHEMBL24218198 0.79 MGLL (0.46) MGLLALDH1A1NPSR1LMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032297-A1 OLIGOMERIC PARTICLE REAGENTS AND METHODS OF USE THEREOF JUNO THERAPEUTICS GMBH (DE) 2021-02-04 US disclosed
US-20170212101-A1 METHODS AND COMPOSITIONS TO IDENTIFY, QUANTIFY, AND CHARACTERIZE TARGET ANALYTES AND BINDING MOIETIES CDI LABORATORIES, INC. (US) 2017-07-27 US 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-20210032297-A1 OLIGOMERIC PARTICLE REAGENTS AND METHODS OF USE THEREOF CD14, MSH2, CD4 CYP1B1 4489/4885CYP19A1 4678/4885CHRM5 2504/4885

“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.