SCHEMBL7036133

SCHEMBL7036133

CN(C)Cc1ccc(C(=O)C2CCNCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
CYP2D6 P10635 1/20 0.60
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MGLL Q99685 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KHK P50053 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KCNH2 Q12809 1/20 0.40
LIMK2 P53671 1/20 0.39
LSS P48449 1/20 0.39

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 SCHEMBL20838548 0.98 MEN1 (0.63) MEN1KMT2ACYP2D6TNKSTNKS2
SCHEMBL5735015 0.84 MEN1 (0.56) MEN1KMT2ACYP2D6SLC6A2SLC6A4
SCHEMBL20883790 0.83 MEN1 (0.66) MEN1KMT2ACYP2D6HRH3MGLL
SCHEMBL6622933 0.80 MEN1 (0.62) MEN1KMT2ACYP2D6MGLLALDH1A1
SCHEMBL9254331 0.80 MEN1 (0.66) MEN1KMT2ACYP2D6HRH3ALDH1A1
Hydrochloric Acid SCHEMBL27829790 0.78 MEN1 (0.64) MEN1KMT2ACYP2D6HRH3MGLL
Hydrochloric Acid SCHEMBL9252134 0.78 MEN1 (0.69) MEN1KMT2ACYP2D6HRH3ALDH1A1
SCHEMBL1582773 0.77 KMT2A (0.96) MEN1KMT2ACYP2D6MGLLALDH1A1
Hydrochloric Acid SCHEMBL7037848 0.77 MEN1 (0.39) MEN1KMT2ACYP2D6TNKSTNKS2
SCHEMBL28750644 0.77 MEN1 (0.58) MEN1KMT2ACYP2D6HRH3MGLL

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
EP-3371166-A1 1,4-DICARBONYL-PIPERIDYL DERIVATIVES Merck Patent GmbH (DE) 2018-09-12 EP disclosed
WO-2017076484-A1 1,4-DICARBONYL-PIPERIDYL DERIVATIVES MERCK PATENT GMBH (DE) 2017-05-11 WO disclosed
WO-2017076484-A1 1,4-DICARBONYL-PIPERIDYL DERIVATIVES MERCK PATENT GMBH (DE) 2017-05-11 WO disclosed
EP-1060162-B1 URETHANES DERIVED FROM AZACYCLOALKANES, THIO AND DITHIO ANALOGUES, PRODUCTION AND USE THEREOF AS 2,3 EPOXYSQUALENE LANESTEROL CYCLASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-03-19 EP disclosed
US-6339096-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERLIPIDAEMIAS, HYPERCHOLESTEROLAEMIAS AND ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-01-15 US disclosed
CN-1281434-A Urethanes derived from azacycloalkanes, thio and dithio analogues, production and use thereof as 2,3 epoxysqualene lanesterol cyclase inhibitors BOEHRINGER INGELHEIM PHARMA (DE) 2001-01-24 CN 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-10570116-B2 1,4-dicarbonyl-piperidyl derivatives TNKS, TANK, TBKBP1 MEN1 3993/4885KMT2A 530/4885CYP2D6 2103/4885
US-20190092751-A1 1,4-DICARBONYL-PIPERIDYL DERIVATIVES TNKS, TANK, TBKBP1 MEN1 3993/4885KMT2A 530/4885CYP2D6 2103/4885

“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.