SCHEMBL17548872

SCHEMBL17548872

CC(N)Cc1ccc(CC(C)N)o1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.46
SLC6A2 P23975 5/20 0.46
SLC6A3 Q01959 3/20 0.46
SLC6A4 P31645 3/20 0.46
MAOA P21397 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP2A6 P11509 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
PNMT P11086 1/20 0.39

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
SCHEMBL19395990 0.93 TAAR1 (0.41) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL19396021 0.87 ALOX5 (0.40) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL17549006 0.87 TAAR1 (0.38) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL407650 0.78 POLB (0.39)
SCHEMBL1810429 0.73 PNMT (0.51) PNMT
SCHEMBL14478276 0.72
SCHEMBL13692285 0.72
SCHEMBL2022682 0.72
SCHEMBL19396014 0.70 POLB (0.36) TAAR1CYP2A6
SCHEMBL17509731 0.70 CHRM2 (0.39) TAAR1SLC6A2SLC6A3SLC6A4MAOA

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-10364210-B2 Diamine compounds, dinitro compounds and other compounds, and methods of producing thereof and uses related thereof MICROMIDAS, INC. (US) 2019-07-30 US disclosed
US-20170275236-A1 DIAMINE COMPOUNDS, DINITRO COMPOUNDS AND OTHER COMPOUNDS, AND METHODS OF PRODUCING THEREOF AND USES RELATED THEREOF MICROMIDAS, INC. (US) 2017-09-28 US disclosed
WO-2016033348-A1 DIAMINE COMPOUNDS, DINITRO COMPOUNDS AND OTHER COMPOUNDS, AND METHODS OF PRODUCING THEREOF AND USES RELATED THEREOF MICROMIDAS, INC. (US) 2016-03-03 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 (2 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-20170275236-A1 DIAMINE COMPOUNDS, DINITRO COMPOUNDS AND OTHER COMPOUNDS, AND METHODS OF PRODUCING THEREOF AND USES RELATED THEREOF DDC, DDT, DAO TAAR1 833/4885SLC6A2 1486/4885SLC6A3 1221/4885
US-10364210-B2 Diamine compounds, dinitro compounds and other compounds, and methods of producing thereof and uses related thereof DDC, DDT, DAO TAAR1 833/4885SLC6A2 1486/4885SLC6A3 1221/4885

“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.