SCHEMBL3137640

SCHEMBL3137640

CC(C)(C)OC(=O)N1CCCC(c2noc(Cc3ccc(F)cc3)n2)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
GPR119 Q8TDV5 2/20 0.46
TRPV3 Q8NET8 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PRMT5 O14744 2/20 0.43
USP30 Q70CQ3 2/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
POLB P06746 1/20 0.41
CCR5 P51681 1/20 0.41
GRM5 P41594 1/20 0.41
CLPP Q16740 1/20 0.41
CYP2D6 P10635 2/20 0.40
CCR3 P51677 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGDS O60760 1/20 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
SCHEMBL3137633 1.00 CNR1 (0.46) CNR1CNR2GPR119TRPV3HDAC4
SCHEMBL4231271 0.83 USP30 (0.53) GPR119TRPV3HDAC4HDAC6USP30
SCHEMBL4223144 0.83 USP30 (0.53) GPR119TRPV3HDAC4HDAC6USP30
SCHEMBL4223141 0.83 USP30 (0.53) GPR119TRPV3HDAC4HDAC6USP30
SCHEMBL3133574 0.83 GRM5 (0.59) POLBGRM5CLPPMEN1KMT2A
SCHEMBL3133581 0.83 GRM5 (0.59) POLBGRM5CLPPMEN1KMT2A
SCHEMBL3141221 0.83 GRM5 (0.51) CNR1CNR2TRPV3POLBGRM5
SCHEMBL3141211 0.83 GRM5 (0.51) CNR1CNR2TRPV3POLBGRM5
SCHEMBL6328194 0.79 ALDH1A1 (0.42) GPR119TRPV3HDAC4HDAC6PRMT5
SCHEMBL3141641 0.79 GRM5 (0.56) POLBCCR5GRM5CLPPMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2010-01-07 US disclosed
EP-1896464-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2008-03-12 EP disclosed
WO-2006129199-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-12-07 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-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM1, GRIK5 CNR1 48/4885CNR2 90/4885GPR119 70/4885

“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.