SCHEMBL2536900

SCHEMBL2536900

c1ccc(CCCc2cnc[nH]2)cc1

nearest known ligand 0.93

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.93
TAAR1 Q96RJ0 2/20 0.79
HRH4 Q9H3N8 8/20 0.74
HRH2 P25021 1/20 0.59

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
SCHEMBL224745 0.89 TAAR1 (1.00) HRH3TAAR1HRH4
SCHEMBL8963886 0.84 HRH3 (0.75) HRH3HRH4HRH2
Proxyfan SCHEMBL15929504 0.80 HRH3 (1.00) HRH3TAAR1HRH4
SCHEMBL8964986 0.80 HRH3 (0.79) HRH3HRH4HRH2
SCHEMBL1034848 0.79 HRH3 (1.00) HRH3TAAR1HRH4
SCHEMBL8963957 0.78 HRH3 (0.80) HRH3HRH4HRH2
SCHEMBL14415974 0.76 HRH4 (1.00) HRH3TAAR1HRH4HRH2
SCHEMBL27871764 0.76 TAAR1 (0.65) HRH3TAAR1HRH4
Proxyfan SCHEMBL29462311 0.75 HRH3 (0.87) HRH3HRH4
SCHEMBL8963903 0.75 HRH3 (0.73) HRH3TAAR1HRH4HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109890795-A The imdazole derivatives that new 5- replaces 拜耳作物科学股份公司 2019-06-14 CN disclosed
EP-2382223-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS Novartis AG (CH) 2011-11-02 EP disclosed
US-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2011-10-20 US disclosed
US-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2011-10-20 US disclosed
US-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2011-10-20 US disclosed
WO-2010076258-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 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-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS PTEN, INPP5D, PPIP5K2 HRH3 335/4885TAAR1 3483/4885HRH4 397/4885

“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.