SCHEMBL5440338

SCHEMBL5440338

CN(C)C1CCc2cc(N3CCC(NC(=O)O)C3=O)ccc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.58
FPR2 P25090 2/20 0.38
FPR1 P21462 1/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
KCNH2 Q12809 1/20 0.38
ACHE P22303 2/20 0.36
ROCK2 O75116 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36

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
SCHEMBL5439933 0.87 F10 (0.46) F10FPR2FPR1HDAC6HDAC1
SCHEMBL8266728 0.86 F10 (0.53) F10HDAC6ACHEROCK2
SCHEMBL14372326 0.86 F10 (0.53) F10HDAC6ACHEROCK2
SCHEMBL5184753 0.79 F10 (0.53) F10SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL8267036 0.79 F10 (0.53) F10SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5433580 0.79 F10 (0.47) F10HDAC6HDAC8SLC6A2SLC6A4
SCHEMBL5431305 0.79 F10 (0.47) F10HDAC6HDAC8SLC6A2SLC6A4
SCHEMBL5185610 0.79 F10 (0.42) F10FPR2FPR1HDAC6HDAC1
SCHEMBL6359928 0.78 TSHR (0.44) F10FPR2FPR1HDAC6HDAC1
SCHEMBL8266599 0.76 F10 (0.43) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249705-A1 N-(1-(2,3-Dihydro-1H-Inden-5Yl)-2-Oxo-3-Pyrrolidinyl)-Sulfonamide Derivatives for Use as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2007-10-25 US 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-20070249705-A1 N-(1-(2,3-Dihydro-1H-Inden-5Yl)-2-Oxo-3-Pyrrolidinyl)-Sulfonamide Derivatives for Use as Factor Xa Inhibitors F11, F12, TFPI F10 7/4885FPR2 596/4885FPR1 293/4885

“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.