SCHEMBL1835804

SCHEMBL1835804

COC(=O)C(C)(N)Cc1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.44
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
GRM5 P41594 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 3/20 0.42
PARP10 Q53GL7 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SLC1A1 P43005 2/20 0.40

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
SCHEMBL15973049 0.85 RIPK1 (0.46) RIPK1IDO1AGXTMRGPRX4GRM5
SCHEMBL7519709 0.84 ADRB1 (0.37) IDO1MAPT
SCHEMBL7271843 0.83 BLM (0.58) RIPK1IDO1AGXTMAPTMAOB
SCHEMBL6340955 0.83 BLM (0.58) RIPK1IDO1AGXTMAPTMAOB
SCHEMBL6340957 0.83 BLM (0.58) RIPK1IDO1AGXTMAPTMAOB
SCHEMBL1812512 0.82 RIPK1 (0.44) RIPK1IDO1AGXTL3MBTL1MAOB
SCHEMBL5182240 0.82 IDO1 (0.42) IDO1MAPTRAB9ASMN1; SMN2
SCHEMBL5184215 0.82 IDO1 (0.42) IDO1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL12614913 0.82 BLM (0.45) MAPTTAAR1
SCHEMBL1812510 0.82 RIPK1 (0.44) RIPK1IDO1AGXTL3MBTL1MAOB

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
CN-102119153-A Method for preparation of piperazindione derivates BASF SE 2011-07-06 CN disclosed
US-20110144336-A1 Method for Preparation of Piperazindione Derivatives BASF SE (DE) 2011-06-16 US disclosed
EP-2318379-A1 METHOD FOR PREPARATION OF PIPERAZINDIONE DERIVATES BASF SE (DE) 2011-05-11 EP disclosed
WO-2010018067-A1 METHOD FOR PREPARATION OF PIPERAZINDIONE DERIVATES BASF SE (DE) 2010-02-18 WO 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-20110144336-A1 Method for Preparation of Piperazindione Derivatives H1-0, H1-3, H1-2 RIPK1 4499/4885IDO1 2103/4885AGXT 1577/4885

“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.