SCHEMBL4288416

SCHEMBL4288416

CCCCCCCCCc1ccc(CN(C)C2CCC(C(=O)O)(C(=O)OCC)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.33
CNR2 P34972 6/20 0.32
CNR1 P21554 3/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPY1R P25929 1/20 0.32
SLC22A1 O15245 1/20 0.31
POLB P06746 2/20 0.31
PKM P14618 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4288406 1.00 DRD4 (0.33) DRD4CNR2CNR1TSHRMEN1
SCHEMBL4287267 0.95 CNR2 (0.34) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL4287288 0.95 CNR2 (0.34) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL4287094 0.94 POLB (0.32) DRD4CNR2CNR1TSHRMEN1
SCHEMBL4290755 0.92 TSHR (0.34) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL4287381 0.92 TSHR (0.34) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL5797225 0.91 CNR2 (0.32) CNR2CNR1ALDH1A1L3MBTL1
SCHEMBL4298739 0.91 TSHR (0.33) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL5796210 0.90 TSHR (0.33) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL5795054 0.89 SPHK1 (0.33) MEN1KMT2APOLBPKMLMNA

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-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US claimed
US-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES BIO-PROJET (FR) 2009-10-22 US disclosed
WO-2006043149-A9 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET SOC CIV (FR) 2006-08-10 WO disclosed
WO-2006043149-A2 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET (FR) 2006-04-27 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-20090264469-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES S1PR2, S1PR1, S1PR5 DRD4 2936/4885CNR2 25/4885CNR1 27/4885

“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.