SCHEMBL5537682

SCHEMBL5537682

COc1ccc(CN2CCN(c3cc(C)nc4ccccc34)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.80
MAPT P10636 1/20 0.69
SIGMAR1 Q99720 1/20 0.58
RAB9A P51151 1/20 0.56
HTR1A P08908 1/20 0.56
HTR1D P28221 1/20 0.56
HTR1B P28222 1/20 0.56
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52
TUBB2A Q13885 1/20 0.52
TUBB8 Q3ZCM7 1/20 0.52
TUBA3E Q6PEY2 1/20 0.52
TUBA1A Q71U36 1/20 0.52

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
SCHEMBL8237815 0.82 MAPT (1.00) NCF1MAPTHTR1AHTR1DHTR1B
SCHEMBL8229803 0.79 NCF1 (0.71) NCF1MAPTHTR1AHTR1DHSD17B10
SCHEMBL8229816 0.79 NCF1 (0.76) NCF1MAPTADRB2ADRB1HSD17B10
SCHEMBL5531659 0.78 HTR1D (0.57) NCF1SIGMAR1HTR1AHTR1DHTR1B
SCHEMBL5527422 0.77 NCF1 (0.77) NCF1HTR1AHTR1DHTR1BADRB2
SCHEMBL5065450 0.76 NCF1 (0.88) NCF1MAPTADRB2ADRB1HSD17B10
SCHEMBL28217942 0.75 SIGMAR1 (1.00) SIGMAR1LMNA
SCHEMBL6125246 0.75 NCF1 (0.75) NCF1MAPTADRB2ADRB1HSD17B10
SCHEMBL13438227 0.74 HRH3 (0.59) NCF1
SCHEMBL30511704 0.74 NCF1 (0.97) NCF1MAPTADRB2ADRB1HSD17B10

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-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
WO-2007071055-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2007-06-28 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-20070197509-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 NCF1 2805/4885MAPT 1841/4885SIGMAR1 940/4885

“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.