SCHEMBL1667202

SCHEMBL1667202

O=C(O)C1CC1c1cnccn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
FFAR1 O14842 5/20 0.38
GPR88 Q9GZN0 3/20 0.37
ADORA3 P0DMS8 1/20 0.36
TSHR P16473 1/20 0.36
MC4R P32245 1/20 0.36
ADRA1A P35348 1/20 0.36
MC3R P41968 1/20 0.36
CYP4F2 P78329 4/20 0.36
CYP4A11 Q02928 4/20 0.36
PABPC1 P11940 1/20 0.36
NR4A2 P43354 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
CYP2C8 P10632 1/20 0.34

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
SCHEMBL1667203 1.00 KDM4E (0.41) KDM4ENAPRTHCAR2FFAR1GPR88
SCHEMBL31076264 1.00 KDM4E (0.41) KDM4ENAPRTHCAR2FFAR1GPR88
Hydrochloric Acid SCHEMBL2521888 0.98 KDM4E (0.40) KDM4ENAPRTHCAR2FFAR1GPR88
Hydrochloric Acid SCHEMBL2521887 0.98 KDM4E (0.40) KDM4ENAPRTHCAR2FFAR1GPR88
SCHEMBL31355232 0.84 ADORA3 (0.43) KDM4ENAPRTHCAR2GPR88ADORA3
SCHEMBL23543046 0.75 FFAR1 (0.42) FFAR1CYP2C8
SCHEMBL3596616 0.75 RIPK1 (0.48) NAPRTFFAR1GPR88NR4A2RXRA
SCHEMBL1207556 0.75 RIPK1 (0.48) NAPRTFFAR1GPR88NR4A2RXRA
SCHEMBL22503549 0.75 FFAR1 (0.42) FFAR1CYP2C8
SCHEMBL13167851 0.75 RIPK1 (0.48) NAPRTFFAR1GPR88NR4A2RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486014-B1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL MYERS SQUIBB CO (US) 2013-07-31 EP disclosed
US-8426414-B2 Modulators of G protein-coupled receptor 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-23 US disclosed
EP-2486014-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
US-20110251204-A1 Modulators of G Protein-Coupled Receptor 88 Bristol-Myers Squibb Company and Lexicon Pharmaceuticals, Inc. 2011-10-13 US disclosed
WO-2011044212-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 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-20110251204-A1 Modulators of G Protein-Coupled Receptor 88 GPR88, GPR68, GRK2 KDM4E 3626/4885NAPRT 2961/4885HCAR2 564/4885

“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.