SCHEMBL4171450

SCHEMBL4171450

Cc1ccc(C)n1-c1ccc2c(c1)CCNC2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 3/20 0.51
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
PNMT P11086 4/20 0.44
CD44 P16070 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
HTR6 P50406 1/20 0.41

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
SCHEMBL6304692 0.90 HTR2C (0.47) ASIC3DRD2ALDH1A1LMNAHTR6
SCHEMBL21800281 0.75 ASIC3 (0.78) ASIC3DRD2DRD3PNMTCD44
SCHEMBL14209166 0.75 DRD2 (0.49) DRD2ALDH1A1LMNA
SCHEMBL1001109 0.74 ASIC3 (0.60) ASIC3DRD2DRD3PNMTCD44
SCHEMBL25406974 0.73 ASIC3 (0.58) ASIC3DRD2DRD3PNMTCD44
Hydrochloric Acid SCHEMBL17259056 0.73 ASIC3 (0.45) ASIC3DRD2DRD3PNMTCD44
SCHEMBL31083767 0.71 ASIC3 (0.59) ASIC3DRD2DRD3PNMTCD44
SCHEMBL1011359 0.71 ASIC3 (0.59) ASIC3DRD2DRD3PNMTCD44
SCHEMBL30801297 0.71 ASIC3 (0.47) ASIC3DRD2DRD3PNMTCD44
SCHEMBL18765804 0.71 ASIC3 (0.59) ASIC3DRD2DRD3PNMTCD44

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
EP-1869010-A1 3-SULFONYLAMINO-PYRROLIDINE-2-ONE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2007-12-26 EP disclosed
WO-2006108709-A1 3-SULFONYLAMINO-PYRROLIDINE-2-ONE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2006-10-19 WO disclosed
WO-2006108709-A1 3-SULFONYLAMINO-PYRROLIDINE-2-ONE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2006-10-19 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-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors TFPI, SERPINC1, SERPINE1 ASIC3 1688/4885DRD2 4206/4885DRD3 4213/4885

“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.