SCHEMBL3057175

SCHEMBL3057175

CN(C(=O)c1cc(F)cc(F)c1)C(CCN)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
HTR1A P08908 1/20 0.38
ATM Q13315 1/20 0.38
CTSL P07711 1/20 0.38
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
SLC7A5 Q01650 1/20 0.38
PYGL P06737 2/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
MMP2 P08253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NR1I2 O75469 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3052731 1.00 HCRTR1 (0.39) HCRTR1HCRTR2HTR1AATMCTSL
SCHEMBL3050416 0.93 BACE1 (0.38) HCRTR1HCRTR2HTR1AATMCTSL
SCHEMBL3060239 0.93 BACE1 (0.38) HCRTR1HCRTR2HTR1AATMCTSL
SCHEMBL3048364 0.90 HCRTR1 (0.41) HCRTR1HCRTR2HTR1AATMALDH1A1
SCHEMBL3048345 0.90 HCRTR1 (0.41) HCRTR1HCRTR2HTR1AATMALDH1A1
SCHEMBL3045271 0.87 HTR1A (0.47) HCRTR1HCRTR2HTR1AALPIPKM
SCHEMBL3059938 0.87 HTR1A (0.47) HCRTR1HCRTR2HTR1AALPIPKM
SCHEMBL3058403 0.87 HTR1A (0.47) HCRTR1HCRTR2HTR1AALPIPKM
SCHEMBL3045276 0.86 BACE1 (0.42) HCRTR1HCRTR2HTR1AALPIPKM
SCHEMBL3058423 0.86 BACE1 (0.42) HCRTR1HCRTR2HTR1AALPIPKM

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 2 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
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 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 (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 HCRTR1 3230/4885HCRTR2 3029/4885HTR1A 1265/4885

“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.