SCHEMBL12420655

SCHEMBL12420655

O=C(c1ccc(OCc2ccccc2)cc1)C1CCNCC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57
MAOB P27338 3/20 0.55
PARP10 Q53GL7 1/20 0.55
HRH3 Q9Y5N1 3/20 0.54
SRD5A2 P31213 1/20 0.54
EGFR P00533 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MBTPS1 Q14703 2/20 0.52
CYP2D6 P10635 1/20 0.51
PLA2G4B P0C869 1/20 0.51
F10 P00742 1/20 0.51
MAOA P21397 2/20 0.50
KDM1A O60341 1/20 0.50

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
SCHEMBL12420557 0.86 NR4A2 (0.63) NR4A2MAOBPARP10F10MAOA
Hydrochloric Acid SCHEMBL2198187 0.85 NR4A2 (0.62) NR4A2MAOBPARP10F10MAOA
SCHEMBL21051406 0.84 NR4A1 (0.57) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL4675888 0.81 MEN1 (0.58) PARP10SRD5A2MEN1KMT2ACYP2D6
SCHEMBL18304442 0.81 SLC6A5 (0.60) NR4A1NR4A2NR4A3MAOBMAOA
Hydrochloric Acid SCHEMBL11617476 0.80 MEN1 (0.60) PARP10SRD5A2MEN1KMT2ACYP2D6
SCHEMBL8117489 0.80 KMT2A (0.60) PARP10MEN1KMT2ACYP2D6
SCHEMBL14637755 0.80 HRH3 (0.59) NR4A1NR4A2NR4A3HRH3EGFR
SCHEMBL22717033 0.79 NR4A2 (0.70) NR4A2MAOBSRD5A2MEN1KMT2A
SCHEMBL408318 0.79 KMT2A (0.66) HRH3MEN1KMT2ACYP2D6

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 14 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-2607362-B1 Piperidine and piperazine carboxylates as FAAH inhibitors ASTELLAS PHARMA INC (JP) 2014-12-31 EP disclosed
EP-2731942-A1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS Novartis AG (CH) 2014-05-21 EP 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
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 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 (2 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 NR4A1 2997/4885NR4A2 2219/4885NR4A3 2909/4885
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R NR4A1 3622/4885NR4A2 3133/4885NR4A3 3107/4885

“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.