SCHEMBL3813951

SCHEMBL3813951

CC(C)(C)OC(=O)n1c(CN2CC[C@H](N)C2=O)cc2cnccc21

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.37
CYP2C9 P11712 2/20 0.36
GPR119 Q8TDV5 6/20 0.36
F10 P00742 3/20 0.36
P2RX7 Q99572 1/20 0.34
NR1H2 P55055 2/20 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
SCHEMBL3813946 1.00 NAMPT (0.37) NAMPTCYP2C9GPR119F10P2RX7
SCHEMBL3812622 0.93 NAMPT (0.39) NAMPTCYP2C9GPR119NR1H2
SCHEMBL3812627 0.93 NAMPT (0.39) NAMPTCYP2C9GPR119NR1H2
SCHEMBL4397648 0.82 F10 (0.41) NAMPTCYP2C9GPR119F10NR1H2
SCHEMBL3812526 0.81 POLB (0.37) GPR119NR1H2
SCHEMBL3812529 0.81 POLB (0.37) GPR119NR1H2
SCHEMBL6221452 0.80 CASP3 (0.40) GPR119F10
SCHEMBL6221450 0.80 CASP3 (0.40) GPR119F10
SCHEMBL1652849 0.79 F10 (0.36) NAMPTCYP2C9GPR119F10NR1H2
SCHEMBL1654543 0.78 F10 (0.39) NAMPTCYP2C9GPR119F10NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089988-B1 FLUOROPHENYL RESIN COMPOUNDS AVENTIS PHARMA INC (US) 2009-08-12 EP disclosed
EP-1086099-B1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2005-09-28 EP disclosed
US-6639023-B1 Such as 4-hydroxy, sulfonic acid or sulfonyl chloride-2,3,5,6-tetrafluorobenzamidomethyl-polystyrene resin; solid phase synthesis AVENTIS PHARMACEUTICALS INC. 2003-10-28 US disclosed
US-6602864-B1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-05 US disclosed
US-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-01-31 US disclosed
EP-1086099-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-01-02 EP disclosed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US disclosed
EP-1086099-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-03-28 EP disclosed
WO-1999062904-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-09 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-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds STS, ARSA, F12 NAMPT 859/4885CYP2C9 111/4885GPR119 1249/4885

“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.