SCHEMBL13619701

SCHEMBL13619701

CC(C)CCC(N)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.46
AOC3 Q16853 2/20 0.46
SCN4A P35499 2/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45
LMNA P02545 1/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
DPP4 P27487 2/20 0.44

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
SCHEMBL13996063 1.00 TAAR1 (0.46) TAAR1AOC3SCN4AADRA2AADRA2C
SCHEMBL2784864 0.88 DPP4 (0.55) TAAR1SCN4ADPP4
SCHEMBL2781359 0.88 DPP4 (0.55) TAAR1SCN4ADPP4
SCHEMBL2781356 0.88 DPP4 (0.55) TAAR1SCN4ADPP4
SCHEMBL11681727 0.87 TAAR1 (0.43) TAAR1AOC3SCN4AADRA2AADRA2C
SCHEMBL27490670 0.87 TAAR1 (0.43) TAAR1AOC3SCN4AADRA2AADRA2C
SCHEMBL11297264 0.85 SLC2A1 (0.44) TAAR1AOC3SCN4AADRA2AADRA2C
SCHEMBL26236051 0.84 TAAR1 (0.56) TAAR1AOC3SCN4A
SCHEMBL3715951 0.83 LMNA (0.52) TAAR1AOC3SCN4AADRA2AADRA2C
SCHEMBL3715882 0.83 LMNA (0.52) TAAR1AOC3SCN4AADRA2AADRA2C

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-20230121302-A1 METHODS OF IRON CATALYZED C-H BOND AMINATION VERSITECH LIMITED (CN) 2023-04-20 US disclosed
US-9724682-B2 Synthesis of acyclic and cyclic amines using iron-catalyzed nitrene group transfer PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 US disclosed
US-20170072390-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-03-16 US disclosed
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 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-20170072390-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER FTH1, FLI1, FECH TAAR1 211/4885AOC3 18/4885SCN4A 4740/4885
US-20230121302-A1 METHODS OF IRON CATALYZED C-H BOND AMINATION FTH1, FECH, HCCS TAAR1 1185/4885AOC3 33/4885SCN4A 3055/4885

“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.