SCHEMBL5482155

SCHEMBL5482155

Cc1cccc(C(=O)NCCCN2CCCCC2)c1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.68
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
HPGD P15428 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MAPT P10636 1/20 0.58
POLB P06746 1/20 0.58
CACNA1G O43497 1/20 0.57
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL10720723 0.93 HSD17B10 (0.68) SMYD2KMT2AMEN1HPGDL3MBTL1
SCHEMBL842621 0.92 HSD17B10 (0.70) SMYD2KMT2AMEN1HPGDHSD17B10
SCHEMBL280088 0.91 HSD17B10 (0.72) SMYD2KMT2AMEN1HPGDHSD17B10
SCHEMBL178368 0.90 HSD17B10 (0.64) SMYD2KMT2AMEN1HSD17B10MAPT
SCHEMBL10192030 0.88 ALDH1A1 (0.70) HSD17B10POLB
SCHEMBL5476524 0.85 SMYD2 (0.62) SMYD2KMT2AMEN1HPGDL3MBTL1
SCHEMBL5487158 0.85 SMYD2 (0.62) SMYD2KMT2AMEN1HPGDL3MBTL1
SCHEMBL16964662 0.85 MAPT (0.62) SMYD2KMT2AMEN1HPGDL3MBTL1
SCHEMBL5474859 0.85 MEN1 (0.61) SMYD2KMT2AMEN1HPGDL3MBTL1
SCHEMBL14430686 0.84 DRD4 (0.70) SMYD2MAPT

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
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 WO disclosed
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 US disclosed
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 US disclosed
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 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-20070191358-A1 Novel piperidine derivative for the treatment of depression GRIN2C, TPH2, HTR5A SMYD2 805/4885KMT2A 234/4885MEN1 4813/4885

“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.