SCHEMBL14717084

SCHEMBL14717084

[c]1nc2cccc3c2n1CC3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL7395014 0.89 NPC1 (0.36) MEN1LMNAKMT2ATDP1NPC1
SCHEMBL7394360 0.68 HTR2C (0.43) DRD2DRD3
SCHEMBL401463 0.64 DRD2 (0.50) MEN1LMNAKMT2ATDP1ADRA2A
SCHEMBL9079752 0.62 NPC1 (0.46) MEN1LMNAKMT2ATDP1ADRA2A
SCHEMBL7815243 0.60 PRMT5 (0.47) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL1829816 0.60 CYP11B2 (0.33)
SCHEMBL15828534 0.58 NPC1 (0.37) LMNAKMT2ANPC1MAPTRAB9A
SCHEMBL405139 0.58 DRD2 (0.48) DRD2DRD3NPC1MAPTRAB9A
SCHEMBL406231 0.57 DRD2 (0.47) DRD2DRD3NPC1MAPTRAB9A
SCHEMBL17186937 0.57 PRMT5 (0.40) MEN1LMNAKMT2ATDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550795-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2017-01-24 US disclosed
US-20150087637-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER INC. (US) 2015-03-26 US disclosed
US-8933221-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2015-01-13 US disclosed
US-20130053373-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds BRODNEY MICHAEL AARON (US) 2013-02-28 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 (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-20130053373-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds DPYD, TPMT, QDPR MEN1 1203/4885LMNA 3515/4885KMT2A 3136/4885
US-20150087637-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds DPYD, TPMT, QDPR MEN1 1203/4885LMNA 3515/4885KMT2A 3136/4885

“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.