SCHEMBL6930694

SCHEMBL6930694

O=c1[nH]c(CCl)nc2c1CCCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.54
HPGD P15428 7/20 0.49
LMNA P02545 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MMP13 P45452 2/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42
WNT3A P56704 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL17086607 0.96 HDAC6 (0.50) HDAC6HPGDLMNACYP1A2CYP2C9
SCHEMBL12050029 0.82 POLB (0.52) HPGDLMNACYP1A2CYP2C9CYP2C19
SCHEMBL14637875 0.82 PARP1 (0.50) HPGDLMNACYP1A2CYP2C9CYP2C19
SCHEMBL14638235 0.81 HPGD (0.51) HPGDLMNACYP1A2CYP2C9CYP2C19
SCHEMBL31128493 0.79 HPGD (0.51) HPGDCYP1A2CYP2C9CYP2C19MMP13
SCHEMBL18711813 0.79 HPGD (0.54) HPGDLMNACYP1A2CYP2C9CYP2C19
SCHEMBL14638381 0.79 PARP1 (0.54) HPGDLMNACYP1A2CYP2C9CYP2C19
SCHEMBL7776883 0.77 PARP1 (0.60) HDAC6LMNAKDM4ETNKSPARP1
SCHEMBL14603558 0.77 TNKS2 (0.54) TNKSPARP1WNT3ATNKS2
SCHEMBL9844062 0.77 HPGD (0.56) HPGDCYP1A2CYP2C9CYP2C19MMP13

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181266-B2 2-piperidin-1-yl-acetamide compounds for use as tankyrase inhibitors NOVARTIS AG (CH) 2015-11-10 US disclosed
US-9181266-B2 2-piperidin-1-yl-acetamide compounds for use as tankyrase inhibitors NOVARTIS AG (CH) 2015-11-10 US disclosed
US-9181266-B2 2-piperidin-1-yl-acetamide compounds for use as tankyrase inhibitors NOVARTIS AG (CH) 2015-11-10 US disclosed
EP-2731942-B1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP disclosed
EP-2731942-B1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP disclosed
US-20150025070-A1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2015-01-22 US disclosed
US-20150025070-A1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2015-01-22 US disclosed
US-20150025070-A1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2015-01-22 US disclosed
EP-2731942-A1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS Novartis AG (CH) 2014-05-21 EP disclosed
CN-103781776-A Novel 2-piperidin-1-yl-acetamide compounds for use as tankyrase inhibitors NOVARTIS AG 2014-05-07 CN disclosed
WO-2013012723-A1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2013-01-24 WO disclosed
WO-2013012723-A1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2013-01-24 WO disclosed
WO-2011012622-A1 BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF GLYTL MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-02-03 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-20150025070-A1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS WNT1, TNKS1BP1, TNKS HDAC6 1213/4885HPGD 1751/4885LMNA 3759/4885

“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.