SCHEMBL4200940

SCHEMBL4200940

CC(C)(CC1CCN1)Nc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LTA4H P09960 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL23456270 0.70 L3MBTL1 (0.47) POLBSLC6A2SLC6A4SLC6A3NPC1
SCHEMBL4199016 0.69 CHRM1 (0.37) POLBNPC1RAB9ALTA4HMEN1
SCHEMBL4199012 0.69 CHRM1 (0.37) POLBNPC1RAB9ALTA4HMEN1
SCHEMBL4195895 0.69 ALDH1A1 (0.39) SLC6A2SLC6A4SLC6A3NPC1RAB9A
SCHEMBL27805387 0.69 ALDH1A1 (0.39) SLC6A2SLC6A4SLC6A3NPC1RAB9A
SCHEMBL4195898 0.69 ALDH1A1 (0.39) SLC6A2SLC6A4SLC6A3NPC1RAB9A
SCHEMBL21790575 0.67 MEN1 (0.53) POLBSLC6A2SLC6A4SLC6A3NPC1
SCHEMBL4488511 0.67 MIF (0.50) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL13943897 0.66 GHSR (0.39) SLC6A2SLC6A4SLC6A3LTA4H
SCHEMBL3650809 0.66 GHSR (0.39) SLC6A2SLC6A4SLC6A3LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389507-B2 2-azetidinemethaneamines and 2-pyrrolidinemethaneamines as TAAR-ligands HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US claimed
US-20090029962-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS HOFFMANN-LA ROCHE, INC. 2009-01-29 US claimed
US-8389507-B2 2-azetidinemethaneamines and 2-pyrrolidinemethaneamines as TAAR-ligands HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-20130005988-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS GALLEY GUIDO (DE) 2013-01-03 US disclosed
US-20090029962-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS HOFFMANN-LA ROCHE, INC. 2009-01-29 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 (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-20090029962-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS TAAR1, TAAR5, NPY2R POLB 2794/4885SLC6A2 108/4885SLC6A4 160/4885
US-20130005988-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS TAAR1, TAAR5, NPY2R POLB 2794/4885SLC6A2 108/4885SLC6A4 160/4885

“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.