SCHEMBL6841585

SCHEMBL6841585

CCOC(=O)N1CCC2(CCc3ccccc3C2=O)CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.63
HTR2A P28223 12/20 0.63
HTR2C P28335 12/20 0.63
HTR2B P41595 12/20 0.63
DRD2 P14416 11/20 0.55
HRH1 P35367 1/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL16407589 0.89 LMNA (0.50) SIGMAR1HTR2AHTR2CHTR2BHRH1
SCHEMBL16407590 0.87 SIGMAR1 (0.66) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL14638454 0.84 SIGMAR1 (0.59) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL22792695 0.84 SIGMAR1 (0.61) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL9451756 0.83 SIGMAR1 (0.71) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6841626 0.81 SIGMAR1 (0.68) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL7587346 0.79 SIGMAR1 (0.73) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL6836356 0.78 SIGMAR1 (1.00) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL4977356 0.77 HRH3 (0.55) LMNAL3MBTL1POLBGAAKMT2A
SCHEMBL4977361 0.77 HRH3 (0.55) LMNAL3MBTL1POLBGAAKMT2A

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 10 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
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
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-20040266802-A1 Tricyclic analgesics CALVET ALAIN (US) 2004-12-30 US disclosed
US-5633247-A ANTIARRTHYMIA AGENT MERCK & CO., INC. (US) 1997-05-27 US disclosed
EP-0431943-A2 Nitrogen-containing spirocycles MERCK & CO. INC. (US) 1991-06-12 EP 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 SIGMAR1 1983/4885HTR2A 2351/4885HTR2C 2812/4885
US-20040266802-A1 Tricyclic analgesics OPRM1, OPRL1, OPRD1 SIGMAR1 11/4885HTR2A 281/4885HTR2C 96/4885

“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.