SCHEMBL5276307

SCHEMBL5276307

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.37
SLC9A1 P19634 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL5276813 0.84 GRM2 (0.40) GRM2SLC9A1ALDH1A1
SCHEMBL5288008 0.82 GRM2 (0.36) GRM2SLC9A1NPC1
SCHEMBL5275433 0.82 GRM2 (0.36) GRM2SLC9A1NPC1
SCHEMBL5282185 0.81 GRM2 (0.43) GRM2SLC9A1
SCHEMBL5276766 0.79 GRM2 (0.34) GRM2SLC9A1NPC1
SCHEMBL5275163 0.79 GRM2 (0.34) GRM2SLC9A1NPC1
SCHEMBL5276361 0.78 SLC9A1 (0.43) GRM2SLC9A1ALDH1A1
SCHEMBL5282137 0.77 SLC9A1 (0.34) GRM2SLC9A1NPC1ALDH1A1
SCHEMBL5273066 0.77 SLC9A1 (0.34) GRM2SLC9A1NPC1ALDH1A1
SCHEMBL5278450 0.75 SLC9A1 (0.33) GRM2SLC9A1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-26 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 (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-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF CARM1, ADRM1, PRMT1 GRM2 567/4885SLC9A1 4685/4885NPC1 898/4885

“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.