SCHEMBL3054985

SCHEMBL3054985

CCCCN1CCN(c2ccc3c(c2)Cc2c-3[nH]c(=O)c3c2CCCC3)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.40
PLA2G2A P14555 3/20 0.39
DRD3 P35462 3/20 0.39
DRD2 P14416 3/20 0.39
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
BCL2A1 Q16548 1/20 0.37
HTR7 P34969 1/20 0.36
HTR6 P50406 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
SCHEMBL2780197 0.87 KDR (0.45) PARP1PLA2G2A
SCHEMBL2779985 0.81 KDR (0.46) PARP1
SCHEMBL7906406 0.79 DRD2 (0.45) PARP1DRD3DRD2KDM4E
SCHEMBL2782521 0.74 KDR (0.44) PARP1
SCHEMBL3064920 0.73 PARP1 (0.48) PARP1KDM4E
SCHEMBL3050598 0.72 DRD2 (0.43) DRD3DRD2HTR6
SCHEMBL3049590 0.70 PARP1 (0.49) PARP1
SCHEMBL3059195 0.70 PARP1 (0.45) PARP1GAA
SCHEMBL2780321 0.70 PARP1 (0.45) PARP1
SCHEMBL3059082 0.70 PARP1 (0.42) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 US claimed
US-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-10-14 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-20100261706-A1 SUBSTITUTED TETRACYCLIC 1H-INDENO [1,2-B]PYRIDINE-2(5H)-ONE ANALOGS THEREOF AND USES THEREOF TNNI3, TNNT2, ALDH1A2 PARP1 245/4885PLA2G2A 3559/4885DRD3 3421/4885

“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.