SCHEMBL2269874

SCHEMBL2269874

c1ccc2c3c([nH]c2c1)C(CN1CCOCC1)NCC3

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.60
HTR7 P34969 8/20 0.52
CHRM4 P08173 5/20 0.52
CTSK P43235 1/20 0.52
DRD2 P14416 3/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPKAPK2 P49137 1/20 0.48
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
HTR2A P28223 2/20 0.45
HTR2C P28335 1/20 0.45

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
SCHEMBL9700846 0.80 KDM4E (0.48) GRIN2BHTR7CYP3A4MAPKAPK2
Hydrochloric Acid SCHEMBL9701609 0.80 KDM4E (0.48) GRIN2BHTR7CYP3A4MAPKAPK2
SCHEMBL5532807 0.77 GRIN2B (0.70) GRIN2BHTR7CHRM4CTSKDRD2
SCHEMBL29756361 0.77 GRIN2B (0.70) GRIN2BHTR7CHRM4CTSKDRD2
SCHEMBL21883968 0.77 GRIN2B (0.70) GRIN2BHTR7CHRM4CTSKDRD2
SCHEMBL8322968 0.77 GRIN2B (0.70) GRIN2BHTR7CHRM4CTSKDRD2
SCHEMBL10924004 0.77 GRIN2B (0.70) GRIN2BHTR7CHRM4CTSKDRD2
Fenharmane SCHEMBL9695673 0.75 GRIN2B (1.00) GRIN2BHTR7CHRM4CTSKDRD2
SCHEMBL34463426 0.74 GRIN2B (0.65) GRIN2BHTR7CHRM4CTSKDRD2
Fenharmane SCHEMBL9696484 0.74 GRIN2B (0.97) GRIN2BHTR7CHRM4CTSKDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 EP 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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 GRIN2B 3547/4885HTR7 1434/4885CHRM4 4217/4885

“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.