SCHEMBL13520344

SCHEMBL13520344

CCN1CCC(OP(C)(C)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 3/20 0.39
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM3 P20309 1/20 0.34
HSD11B1 P28845 1/20 0.33
ACHE P22303 1/20 0.33
EPHX1 P07099 1/20 0.30
BCHE P06276 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
SCHEMBL10241703 0.82 SMN1; SMN2 (0.44) SMN1; SMN2HRH3KDM4EMEN1MAPT
SCHEMBL18773643 0.74 SMN1; SMN2 (0.47) SMN1; SMN2HRH3KDM4EKMT2ACHRM3
SCHEMBL14600743 0.72 SMN1; SMN2 (0.35) SMN1; SMN2HRH3KDM4EMEN1MAPT
SCHEMBL10241157 0.72 SMN1; SMN2 (0.38) SMN1; SMN2HRH3KDM4ECHRM3
SCHEMBL70520 0.72 HRH3 (0.44) SMN1; SMN2HRH3KDM4EMEN1MAPT
SCHEMBL15387018 0.70 HRH3 (0.43) SMN1; SMN2HRH3KDM4EMEN1MAPT
SCHEMBL27880313 0.70 HRH3 (0.43) SMN1; SMN2HRH3CHRM3HSD11B1
SCHEMBL7903518 0.70 HRH3 (0.43) SMN1; SMN2HRH3CHRM3HSD11B1
SCHEMBL28784801 0.69 SMN1; SMN2 (0.42) SMN1; SMN2HRH3KDM4EMEN1MAPT
SCHEMBL14565366 0.69 SMN1; SMN2 (0.42) SMN1; SMN2HRH3KDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652028-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2010-01-26 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 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-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS SMN1; SMN2 18/4885HRH3 3631/4885KDM4E 2660/4885

“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.