SCHEMBL5282137

SCHEMBL5282137

CCn1nnc(C)c1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.34
NPC1 O15118 1/20 0.33
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL5286755 0.83 SLC9A1 (0.38) SLC9A1ADORA2AADORA2BALDH1A1GRM2
SCHEMBL5287468 0.81 SLC9A1 (0.33) SLC9A1NPC1ADORA2AADORA2BALDH1A1
SCHEMBL5278007 0.81 GABRB3 (0.34) SLC9A1NPC1ADORA2AADORA2BALDH1A1
SCHEMBL5274077 0.80 SLC9A1 (0.41) SLC9A1ALDH1A1GRM2
SCHEMBL5273066 0.78 SLC9A1 (0.34) SLC9A1NPC1ALDH1A1GRM2
SCHEMBL5276769 0.78 SLC9A1 (0.32) SLC9A1NPC1
SCHEMBL5288120 0.78 SLC9A1 (0.32) SLC9A1NPC1
SCHEMBL5286214 0.77 SLC9A1 (0.44) SLC9A1ALDH1A1
SCHEMBL5278450 0.77 SLC9A1 (0.33) SLC9A1NPC1ALDH1A1GRM2
SCHEMBL19498023 0.77 SLC9A1 (0.33) SLC9A1NPC1ALDH1A1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. (US) 2017-11-09 US disclosed
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. (US) 2017-11-09 US disclosed
US-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-26 US disclosed
US-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-26 US disclosed
US-9718847-B2 Heterocyclic compounds and uses thereof PLEXXIKON INC. (US) 2017-08-01 US disclosed
US-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2015-05-14 US disclosed
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP 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 (3 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-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF CARM1, ADRM1, PRMT1 SLC9A1 4685/4885NPC1 898/4885ADORA2A 1270/4885
US-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 SLC9A1 2149/4885NPC1 113/4885ADORA2A 981/4885
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 SLC9A1 2149/4885NPC1 113/4885ADORA2A 981/4885

“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.