SCHEMBL10241873

SCHEMBL10241873

CCNC1CCC(OP(=O)(O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
INPP5A Q14642 3/20 0.43
SMPD1 P17405 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
ITPR3 Q14573 7/20 0.33
ITPR2 Q14571 3/20 0.33
ITPR1 Q14643 3/20 0.33
KCNH2 Q12809 1/20 0.33
EPHX1 P07099 1/20 0.33
INPPL1 O15357 1/20 0.32
AKT1 P31749 1/20 0.32
ANPEP P15144 2/20 0.32
ERAP2 Q6P179 2/20 0.32

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
SCHEMBL3431004 0.80 INPP5A (0.42) INPP5ASMPD1S1PR4S1PR1S1PR3
SCHEMBL3431002 0.80 INPP5A (0.42) INPP5ASMPD1S1PR4S1PR1S1PR3
SCHEMBL2238965 0.77
SCHEMBL13245941 0.74 INPP5A (0.43) INPP5ASMPD1
SCHEMBL14565203 0.73 KCNH2 (0.35) KCNH2EPHX1
SCHEMBL2149479 0.73 INPP5A (0.52) INPP5ASMPD1ITPR3ITPR2ITPR1
SCHEMBL2238021 0.73
SCHEMBL25042763 0.72 KCNH2 (0.52) KCNH2EPHX1
SCHEMBL549384 0.72
SCHEMBL1142602 0.72 KCNH2 (0.52) KCNH2EPHX1

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 7 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
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 INPP5A 452/4885SMPD1 2837/4885S1PR4 3993/4885
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS INPP5A 452/4885SMPD1 2837/4885S1PR4 3993/4885
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof TNNI3, IDH2, GLS INPP5A 452/4885SMPD1 2837/4885S1PR4 3993/4885
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS INPP5A 452/4885SMPD1 2837/4885S1PR4 3993/4885

“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.