SCHEMBL10245567

SCHEMBL10245567

CC(C)(C)N1CCN(CC(=O)Nc2ccccn2)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
HTT P42858 1/20 0.60
ALDH1A1 P00352 3/20 0.57
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 1/20 0.57
OGA O60502 1/20 0.56
GAA P10253 1/20 0.55
TAOK1 Q7L7X3 1/20 0.53
THRB P10828 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 1/20 0.49
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 1/20 0.48
EGFR P00533 1/20 0.48
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL19231571 0.90 MEN1 (0.58) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL8919985 0.85 MEN1 (0.64) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL5183393 0.83 MEN1 (0.56) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL14427198 0.82 KMT2A (0.68) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL19231572 0.82 MEN1 (0.60) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL4714057 0.81 MEN1 (0.66) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL1308281 0.80 MEN1 (0.65) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL655812 0.80 MEN1 (0.64) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL1023091 0.80 MEN1 (0.58) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL8145351 0.79 OGA (0.59) MEN1KMT2AHTTALDH1A1LMNA

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-9730944-B2 Antiviral activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2017-08-15 US disclosed
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US disclosed
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US disclosed
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2016-02-04 US disclosed
US-9193741-B2 Antiviral activity of bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-11-24 US disclosed
US-8901132-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-12-02 US disclosed
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-03-27 US disclosed
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2013-07-25 US disclosed
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-02-23 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 (4 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-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS TPMT, STAT6, IL4 MEN1 2449/4885KMT2A 3592/4885HTT 4519/4885
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles HAVCR2, RNASE1, RNASEH1 MEN1 2650/4885KMT2A 4258/4885HTT 3711/4885
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES CCNA1, CCND3, CCND1 MEN1 531/4885KMT2A 1693/4885HTT 2408/4885
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles RNASE1, HAVCR2, RNASEH1 MEN1 2263/4885KMT2A 3465/4885HTT 1008/4885

“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.