SCHEMBL3047223

SCHEMBL3047223

Cc1cccc(C(=O)N(C)[C@H](CCN)Cc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
TDP1 Q9NUW8 3/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
GPR52 Q9Y2T5 1/20 0.41
PARP1 P09874 1/20 0.40
HTR1A P08908 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
VNN1 O95497 1/20 0.39
LPAR1 Q92633 1/20 0.39

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
SCHEMBL3044608 1.00 HCRTR1 (0.45) HCRTR1HCRTR2TDP1HPGDKMT2A
SCHEMBL3058423 0.90 BACE1 (0.42) HCRTR1HCRTR2TDP1KMT2AMEN1
SCHEMBL3045276 0.90 BACE1 (0.42) HCRTR1HCRTR2TDP1KMT2AMEN1
SCHEMBL3045271 0.88 HTR1A (0.47) HCRTR1HCRTR2HPGDKMT2AMEN1
SCHEMBL3059938 0.88 HTR1A (0.47) HCRTR1HCRTR2HPGDKMT2AMEN1
SCHEMBL3058403 0.88 HTR1A (0.47) HCRTR1HCRTR2HPGDKMT2AMEN1
SCHEMBL3040844 0.87 HCRTR1 (0.46) HCRTR1HCRTR2KMT2AMEN1RAB9A
SCHEMBL3042664 0.87 HCRTR1 (0.46) HCRTR1HCRTR2KMT2AMEN1RAB9A
SCHEMBL3044603 0.85 TDP1 (0.45) HCRTR1HCRTR2TDP1HPGDKMT2A
SCHEMBL3047220 0.85 TDP1 (0.45) HCRTR1HCRTR2TDP1HPGDKMT2A

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 1 patent. 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 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 3029/4885TDP1 1379/4885

“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.