SCHEMBL7375396

SCHEMBL7375396

N[C@H]1CCN(CCNc2ccncc2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
GRIN2B Q13224 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
APEX1 P27695 1/20 0.33
GSK3B P49841 1/20 0.33
DRD2 P14416 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
ADRA2B P18089 1/20 0.31
FDPS P14324 1/20 0.31
DPP4 P27487 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
HRH3 Q9Y5N1 1/20 0.30
TPSAB1 Q15661 1/20 0.30
TPSD1 Q9BZJ3 1/20 0.30
TPSG1 Q9NRR2 1/20 0.30

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
SCHEMBL7413226 1.00 MAPT (0.33) MAPTTDP1CYP2D6CYP2C9GRIN2B
Trifluoroacetic Acid SCHEMBL7921647 0.91 DPP4 (0.38) CYP2D6CYP2C9GRIN2BDPP4L3MBTL1
Trifluoroacetic Acid SCHEMBL7370017 0.91 DPP4 (0.38) CYP2D6CYP2C9GRIN2BDPP4L3MBTL1
SCHEMBL7378733 0.82 CYP2D6 (0.35) TDP1CYP2D6CYP2C9GRIN2BCYP3A4
SCHEMBL7540081 0.82 CYP2D6 (0.35) TDP1CYP2D6CYP2C9GRIN2BCYP3A4
Trifluoroacetic Acid SCHEMBL7376993 0.76 GPR6 (0.36) CYP2D6CYP2C9GRIN2BDPP4L3MBTL1
Trifluoroacetic Acid SCHEMBL7921642 0.76 GPR6 (0.36) CYP2D6CYP2C9GRIN2BDPP4L3MBTL1
Trifluoroacetic Acid SCHEMBL7370016 0.76 GPR6 (0.36) CYP2D6CYP2C9GRIN2BDPP4L3MBTL1
SCHEMBL2686768 0.75 GRM2 (0.40) MAPTTDP1CYP3A4TSHRAPEX1
SCHEMBL2127950 0.71 HRH3 (0.55) TDP1CYP2D6CYP3A4ADRA2BL3MBTL1

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
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 MAPT 4883/4885TDP1 2961/4885CYP2D6 210/4885

“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.