SCHEMBL3577198

SCHEMBL3577198

O=C(OCc1ccccc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)co2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TRPC3 Q13507 1/20 0.47
TRPC7 Q9HCX4 1/20 0.47
TSHR P16473 4/20 0.45
LMNA P02545 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
TYK2 P29597 2/20 0.45
JAK3 P52333 2/20 0.45
GRM5 P41594 1/20 0.44
CLPP Q16740 1/20 0.44
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ENPP2 Q13822 2/20 0.42

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
SCHEMBL3577202 1.00 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19TRPC3
SCHEMBL20028884 0.87 JAK2 (0.47) CYP2C19TSHRNPSR1JAK2JAK1
SCHEMBL3587612 0.85 JAK2 (0.46) CYP2C19TRPC3TRPC7NPSR1JAK2
SCHEMBL3587608 0.85 JAK2 (0.46) CYP2C19TRPC3TRPC7NPSR1JAK2
SCHEMBL29679550 0.83 JAK2 (0.43) CYP2C19TSHRLMNANPSR1JAK2
SCHEMBL20028877 0.83 JAK2 (0.43) CYP2C19TSHRLMNANPSR1JAK2
SCHEMBL3584728 0.79 GRM5 (0.68) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL3584731 0.79 GRM5 (0.68) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL3591829 0.78 BCL9 (0.42) TRPC3TRPC7NPSR1JAK2JAK1
SCHEMBL3591832 0.78 BCL9 (0.42) TRPC3TRPC7NPSR1JAK2JAK1

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
EP-2089386-B1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2012-08-08 EP disclosed
US-20100081690-A1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-04-01 US disclosed
EP-2089386-A2 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2009-08-19 EP disclosed
WO-2008056259-A2 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2008-05-15 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-20100081690-A1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 CYP1A2 3488/4885CYP3A4 3958/4885CYP2C9 3724/4885

“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.