SCHEMBL3058403

SCHEMBL3058403

CN(C(=O)c1ccccc1)C(CCN)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.47
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
MDM2 Q00987 1/20 0.42
MMP2 P08253 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 1/20 0.40
F2 P00734 1/20 0.40
ADRA2C P18825 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALPL P05186 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL3045271 1.00 HTR1A (0.47) HTR1AALPIPKMPTGS1XIAP
SCHEMBL3059938 1.00 HTR1A (0.47) HTR1AALPIPKMPTGS1XIAP
SCHEMBL3053145 0.91 KMT2A (0.42) HTR1AALPIPKMPTGS1XIAP
SCHEMBL3059763 0.91 KMT2A (0.42) HTR1AALPIPKMPTGS1XIAP
SCHEMBL3053958 0.91 TDP1 (0.41) HTR1AHCRTR1HCRTR2KMT2AMEN1
SCHEMBL3050474 0.91 TDP1 (0.41) HTR1AHCRTR1HCRTR2KMT2AMEN1
SCHEMBL3040851 0.91 NPY5R (0.41) HTR1AHCRTR1HCRTR2ALDH1A1
SCHEMBL3053994 0.91 NPY5R (0.41) HTR1AHCRTR1HCRTR2ALDH1A1
SCHEMBL3044608 0.88 HCRTR1 (0.45) HTR1AHCRTR1HCRTR2KMT2AMEN1
SCHEMBL3047223 0.88 HCRTR1 (0.45) HTR1AHCRTR1HCRTR2KMT2AMEN1

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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 US claimed
WO-2010086366-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-08-05 WO claimed
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 US disclosed
WO-2010086366-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-08-05 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 (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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 HTR1A 1265/4885ALPI 359/4885PKM 3853/4885

“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.