SCHEMBL10241157

SCHEMBL10241157

CCN1CCC(OP(=O)(O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
INPP5A Q14642 1/20 0.38
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM3 P20309 3/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
ESR1 P03372 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL10241750 0.90 CYP3A4 (0.46) INPP5ACYP3A4CYP1A2CYP2D6CHRM3
SCHEMBL18379149 0.90 CYP3A4 (0.46) INPP5ACYP3A4CYP1A2CYP2D6CHRM3
SCHEMBL10241703 0.89 SMN1; SMN2 (0.44) SMN1; SMN2INPP5ACHRM3KDM4EHRH3
SCHEMBL17553814 0.85 INPP5A (0.38) INPP5ACYP3A4CYP1A2CYP2D6
SCHEMBL22479228 0.76 INPP5A (0.41) SMN1; SMN2INPP5ACYP1A2CHRM3CHRM4
SCHEMBL31470602 0.76 INPP5A (0.41) SMN1; SMN2INPP5ACYP1A2CHRM3CHRM4
SCHEMBL19903722 0.73 CYP2D6 (0.46) SMN1; SMN2CYP3A4CYP1A2CYP2D6CHRM3
SCHEMBL12413361 0.72
SCHEMBL6923386 0.72
SCHEMBL10272763 0.72

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-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 US disclosed
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-15 US disclosed
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-13 US disclosed
US-7652028-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2010-01-26 US disclosed
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof INOTEK PHARMACEUTICALS CORPORATION 2010-01-07 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 (4 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 18/4885INPP5A 452/4885CYP3A4 1682/4885
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS SMN1; SMN2 18/4885INPP5A 452/4885CYP3A4 1682/4885
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof TNNI3, IDH2, GLS SMN1; SMN2 18/4885INPP5A 452/4885CYP3A4 1682/4885
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS SMN1; SMN2 18/4885INPP5A 452/4885CYP3A4 1682/4885

“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.