SCHEMBL16355455

SCHEMBL16355455

CN[C@H](C)c1nc(Cl)c(-c2ccc(C)cc2)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
HTR2A P28223 2/20 0.34
SLC6A4 P31645 2/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
CCNB2 O95067 2/20 0.32
CDK1 P06493 2/20 0.32
CCNB1 P14635 2/20 0.32
GSK3A P49840 2/20 0.32
GSK3B P49841 2/20 0.32
CDK5 Q00535 2/20 0.32
CDK5R1 Q15078 2/20 0.32
CCNB3 Q8WWL7 2/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
HTR5A P47898 1/20 0.32

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
SCHEMBL16355452 0.84 KDM4E (0.35) HTR2ASLC6A4KDM4ELMNACCNB2
SCHEMBL16355454 0.73 NPC1 (0.35) KDM4ELMNAALDH1A1HPGDMAPT
SCHEMBL16355450 0.73 NPC1 (0.35) KDM4ELMNAALDH1A1HPGDMAPT
SCHEMBL16355447 0.69 CDK5 (0.41) LMNACCNB2CDK1CCNB1GSK3A
SCHEMBL6961083 0.67 MAOA (0.46) L3MBTL1KDM4EMAOAMAOBMEN1
SCHEMBL30469483 0.66 KDM4E (0.72) L3MBTL1KDM4ELMNAMEN1KMT2A
SCHEMBL16355451 0.65 KDM4E (0.37) L3MBTL1KDM4ELMNACCNB2CDK1
SCHEMBL5705212 0.63 L3MBTL1 (0.38) L3MBTL1KDM4ELMNAHTR1AHTR1D
SCHEMBL29216763 0.61 L3MBTL1 (0.37) L3MBTL1KDM4ELMNAHTR1AHTR1D
SCHEMBL17995191 0.61 KDM4E (0.47) L3MBTL1KDM4ELMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378416-A1 SILYL-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. 2014-12-25 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 (1 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-20140378416-A1 SILYL-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1L, HBS1L, HAVCR2 L3MBTL1 484/4885HTR2A 4734/4885SLC6A4 3744/4885

“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.