SCHEMBL6840446

SCHEMBL6840446

C[C@@H]1CCN(C(=O)C(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
ACHE P22303 1/20 0.38
RECQL P46063 1/20 0.37
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
PHGDH O43175 1/20 0.36
MGLL Q99685 1/20 0.36
RIPK1 Q13546 1/20 0.35
EPHX2 P34913 2/20 0.35
PDK2 Q15119 3/20 0.35

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
SCHEMBL6840322 1.00 ALDH1A1 (0.42) ALDH1A1NPC1LMNAMEN1KMT2A
SCHEMBL9963882 1.00 ALDH1A1 (0.42) ALDH1A1NPC1LMNAMEN1KMT2A
SCHEMBL24909500 0.90 ALDH1A1 (0.39) ALDH1A1NPC1LMNAMEN1KMT2A
SCHEMBL12156724 0.88 ALDH1A1 (0.56) ALDH1A1NPC1LMNAMEN1KMT2A
SCHEMBL20469331 0.88 ALDH1A1 (0.56) ALDH1A1NPC1LMNAMEN1KMT2A
SCHEMBL762451 0.87 ALDH1A1 (0.50) ALDH1A1NPC1LMNAMEN1KMT2A
SCHEMBL14165329 0.86 ALDH1A1 (0.50) ALDH1A1NPC1LMNAMEN1KMT2A
SCHEMBL8237338 0.86 ALDH1A1 (0.44) ALDH1A1NPC1LMNAMEN1KMT2A
SCHEMBL12424407 0.84 DPP4 (0.41) ALDH1A1NPC1LMNAMEN1KMT2A
SCHEMBL17177167 0.84 DPP4 (0.41) ALDH1A1NPC1LMNAMEN1KMT2A

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-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
US-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-08-09 US disclosed
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-12-14 US disclosed
US-8653141-B2 HIV protease inhibiting compounds ABBVIE INC. (US) 2014-02-18 US disclosed
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 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 (7 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-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP ALDH1A1 2920/4885NPC1 569/4885LMNA 3100/4885
US-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP ALDH1A1 1466/4885NPC1 1265/4885LMNA 3987/4885
US-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 ALDH1A1 3813/4885NPC1 2281/4885LMNA 1845/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR ALDH1A1 411/4885NPC1 2181/4885LMNA 4840/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP ALDH1A1 2920/4885NPC1 569/4885LMNA 3100/4885
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT ALDH1A1 3212/4885NPC1 2704/4885LMNA 2400/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP ALDH1A1 3857/4885NPC1 2291/4885LMNA 2014/4885

“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.