SCHEMBL2172470

SCHEMBL2172470

C1CCN(CCC2CC[N]CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CHRM5 P08912 1/20 0.37
ADRA2C P18825 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL42214 0.98 CYP1A2 (0.46) CYP1A2CHRM5ADRA2CHRH3SIRT2
SCHEMBL8587237 0.84 CYP1A2 (0.50) CYP1A2CHRM5ADRA2CHRH3DRD2
SCHEMBL9431697 0.82 DRD2 (0.38) DRD2DRD3
SCHEMBL10949210 0.81 CHRM5 (0.54) CYP1A2CHRM5ADRA2CHRH3
SCHEMBL10153844 0.81 CYP1A2 (0.54) CYP1A2CHRM5ADRA2CHRH3CARM1
SCHEMBL42023 0.81 CYP1A2 (0.41) CYP1A2CHRM5ADRA2C
SCHEMBL30340999 0.79 CHRM5 (0.58) CYP1A2CHRM5ADRA2CHRH3
SCHEMBL12945 0.79 CHRM5 (0.58) CYP1A2CHRM5ADRA2CHRH3
SCHEMBL3218288 0.79 CHRM5 (0.58) CYP1A2CHRM5ADRA2CHRH3
SCHEMBL2249609 0.77 CHRM5 (0.62) CHRM5ADRA2CHRH3SIRT2SIRT1

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-2076503-B1 C-PHENYL GLYCITOL COMPOUND FOR THE TREATMENT OF DIABETES TAISHO PHARMACEUTICAL CO LTD (JP) 2013-07-17 EP disclosed
EP-2465504-A1 Novel 2,3-diamino-quinazolinone derivatives and their medical use NeuroSearch A/S (DK) 2012-06-20 EP disclosed
US-8178544-B2 2, 3-diamino-quinazolinone derivatives and their medical use NEUROSEARCH A/S (DK) 2012-05-15 US disclosed
US-7973012-B2 C-phenyl glycitol compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-07-05 US disclosed
US-20100160315-A1 NOVEL 2, 3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE NEURO SEARCH A/S (DK) 2010-06-24 US disclosed
US-20100022460-A1 C-PHENYL GLYCITOL COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-01-28 US disclosed
EP-2076503-A2 C-PHENYL GLYCITOL COMPOUND FOR THE TREATMENT OF DIABETES TAISHO PHARMACEUTICAL CO., LTD (JP) 2009-07-08 EP disclosed
WO-2007136116-A2 C-PHENYL GLYCITOL COMPOUND FOR THE TREATMENT OF DIABETES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-11-29 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 (2 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-20100022460-A1 C-PHENYL GLYCITOL COMPOUND SLC5A1, SLC5A2, SLC2A1 CYP1A2 1108/4885CHRM5 2266/4885ADRA2C 746/4885
US-20100160315-A1 NOVEL 2, 3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE KCNJ2, KCNN3, KCNK17 CYP1A2 1972/4885CHRM5 266/4885ADRA2C 254/4885

“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.