SCHEMBL3420701

SCHEMBL3420701

CCCCc1c[nH]c(CCCN(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
HRH4 Q9H3N8 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
SLC6A4 P31645 8/20 0.36
DNM1 Q05193 3/20 0.36
MPO P05164 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
DAO P14920 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL3420561 0.92 HRH4 (0.40) HRH3HRH4GPR84SLC6A4DNM1
SCHEMBL12097192 0.88 HRH3 (0.44) HRH3GPR84DAO
SCHEMBL28902375 0.82 HRH3 (0.40) HRH3GPR84DAO
SCHEMBL367948 0.82 GPR84 (0.50) GPR84
SCHEMBL3417107 0.77 SLC6A4 (0.44) SLC6A4MPOSIGMAR1
SCHEMBL3413597 0.76 ALOX5 (0.43) DNM1
SCHEMBL3417098 0.75 ALDH1A1 (0.44) GPR84THRATHRB
SCHEMBL4686292 0.75 GPR84 (0.44) GPR84
SCHEMBL13103035 0.72 ALDH1A1 (0.45) GPR84THRATHRB
SCHEMBL12097276 0.72 MPO (0.35) GPR84MPODAO

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-20140186875-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSIS MONTANA STATE UNIVERSITY (US) 2014-07-03 US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 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-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES PTMS, CHAMP1, RAB5IF HRH3 4674/4885HRH4 4661/4885GPR84 3862/4885

“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.