SCHEMBL4199016

SCHEMBL4199016

Clc1ccc(NCCC2CCN2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.37
HTR2A P28223 1/20 0.37
MCHR1 Q99705 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAN1B1 Q9UKM7 1/20 0.36
LTA4H P09960 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL4199012 1.00 CHRM1 (0.37) CHRM1HTR2AMCHR1POLBMEN1
SCHEMBL10891765 0.87 LTA4H (0.49) LTA4H
SCHEMBL23130390 0.74 KDM1A (0.51) CHRM1HTR2AMCHR1MEN1KMT2A
SCHEMBL9639726 0.72 MAPT (0.55) MEN1KMT2ANPC1RAB9A
SCHEMBL5289989 0.71 LTA4H (0.50) HTR2APOLBKMT2AMAN1B1LTA4H
SCHEMBL9620214 0.70 MAOA (0.39) CHRM1HTR2AMCHR1MEN1KMT2A
SCHEMBL4195898 0.69 ALDH1A1 (0.39) MEN1KMT2ANPC1RAB9A
SCHEMBL4200940 0.69 POLB (0.37) POLBMEN1KMT2ALTA4HNPC1
SCHEMBL4195895 0.69 ALDH1A1 (0.39) MEN1KMT2ANPC1RAB9A
SCHEMBL21565752 0.68 POLB (0.47) POLBLTA4H

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 7 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
CN-101765587-A 2-azetidinemethanamines and 2-pyrrolidinemethanamines as TAAR ligands HOFFMANN LA ROCHE 2010-06-30 CN 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
CN-101765587-A 2-azetidinemethanamines and 2-pyrrolidinemethanamines as TAAR ligands HOFFMANN LA ROCHE 2010-06-30 CN 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 CHRM1 136/4885HTR2A 13/4885MCHR1 14/4885
US-20130005988-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS TAAR1, TAAR5, NPY2R CHRM1 136/4885HTR2A 13/4885MCHR1 14/4885

“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.