SCHEMBL17252020

SCHEMBL17252020

CCn1cc(C(=O)C2CCNCC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
CYP2D6 P10635 1/20 0.47
KMT2A Q03164 1/20 0.47
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
MAPT P10636 3/20 0.43
HRH3 Q9Y5N1 1/20 0.42
PROKR1 Q8TCW9 5/20 0.42
LMNA P02545 3/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C19 P33261 1/20 0.40
GFER P55789 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PLAT P00750 2/20 0.40
TSHR P16473 1/20 0.39
DYRK1A Q13627 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
Hydrochloric Acid SCHEMBL461873 0.99 MEN1 (0.49) MEN1CYP2D6KMT2ATNKSTNKS2
SCHEMBL17870556 0.87 MAPT (0.51) MEN1CYP2D6KMT2AMAPTLMNA
SCHEMBL408283 0.82 MEN1 (0.51) MEN1CYP2D6KMT2ATNKSTNKS2
Hydrochloric Acid SCHEMBL440170 0.81 MEN1 (0.54) MEN1CYP2D6KMT2ATNKSTNKS2
SCHEMBL11918945 0.80 LMNA (0.46) KMT2AMAPTLMNAHPGDCYP2C19
SCHEMBL18624033 0.77 ACHE (0.50) MEN1CYP2D6KMT2ATNKSTNKS2
Hydrochloric Acid SCHEMBL17243327 0.76 ACHE (0.49) MEN1CYP2D6KMT2ATNKSTNKS2
SCHEMBL13181146 0.73 L3MBTL1 (0.51) KMT2AMAPTPROKR1LMNAHPGD
SCHEMBL27259485 0.71 TBK1 (0.47) L3MBTL1PLATDYRK1A
SCHEMBL12159798 0.71 L3MBTL1 (0.53) KMT2AMAPTPROKR1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10570116-B2 1,4-dicarbonyl-piperidyl derivatives MERCK PATENT GMBH (DE) 2020-02-25 US disclosed
EP-3371166-B1 1,4-DICARBONYL-PIPERIDYL DERIVATIVES MERCK PATENT GMBH (DE) 2019-11-20 EP disclosed
US-20190092751-A1 1,4-DICARBONYL-PIPERIDYL DERIVATIVES MERCK PATENT GMBH (DE) 2019-03-28 US disclosed
US-9809598-B2 Heterocyclyl-butanamide derivatives MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
US-9809598-B2 Heterocyclyl-butanamide derivatives MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
WO-2017076484-A1 1,4-DICARBONYL-PIPERIDYL DERIVATIVES MERCK PATENT GMBH (DE) 2017-05-11 WO disclosed
US-20170073347-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2017-03-16 US disclosed
US-20170073347-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2017-03-16 US disclosed
WO-2015169421-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2015-11-12 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 (3 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-10570116-B2 1,4-dicarbonyl-piperidyl derivatives TNKS, TANK, TBKBP1 MEN1 3993/4885CYP2D6 2103/4885KMT2A 530/4885
US-20190092751-A1 1,4-DICARBONYL-PIPERIDYL DERIVATIVES TNKS, TANK, TBKBP1 MEN1 3993/4885CYP2D6 2103/4885KMT2A 530/4885
US-20170073347-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES TNKS, TANK, TBKBP1 MEN1 4039/4885CYP2D6 1952/4885KMT2A 1418/4885

“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.