SCHEMBL2798531

SCHEMBL2798531

CCCCN1CCN(c2cccc3c2Cc2c-3[nH]c(=O)c3cccnc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.44
HTR1A P08908 6/20 0.44
HTR2A P28223 6/20 0.44
HTR7 P34969 4/20 0.44
HTR6 P50406 4/20 0.44
DRD3 P35462 4/20 0.41
DRD4 P21917 1/20 0.41
HTR2C P28335 1/20 0.41
PARP1 P09874 4/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNH2 Q12809 3/20 0.38
PARP2 Q9UGN5 3/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1B P35368 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38

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
SCHEMBL2782117 0.91 PARP1 (0.39) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL2799038 0.88 PARP1 (0.40) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL2778486 0.87 LMNA (0.46) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL2799423 0.84 PARP1 (0.47) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL2780403 0.83 TNKS (0.42) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL7906406 0.80 DRD2 (0.45) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL13086587 0.77 CCNB2 (0.42) PARP1PARP2
SCHEMBL3050598 0.73 DRD2 (0.43) DRD2HTR1AHTR2AHTR6DRD3
SCHEMBL2791695 0.72 CHEK1 (0.43) PARP1TSHRSMN1; SMN2
SCHEMBL3060166 0.72 PARP1 (0.43) 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 4 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 disclosed
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
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
WO-2010077663-A2 SUBSTITUTED TETRACYCLIC 1H-INDENO (1,2-B) PYRIDINE-2 (5H)-ONE ANALOGS THEREOF AND USES THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-08 WO 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 DRD2 2481/4885HTR1A 855/4885HTR2A 1130/4885

“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.