SCHEMBL8633227

SCHEMBL8633227

CCN(CC)Cc1ccc(C)o1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.71
ALOX5 P09917 1/20 0.50
CHRM2 P08172 2/20 0.47
MEN1 O00255 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CYP2C9 P11712 1/20 0.47
CHRM3 P20309 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 3/20 0.45
GLA P06280 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
HRH3 Q9Y5N1 1/20 0.40
HTT P42858 2/20 0.37
THRB P10828 2/20 0.37
PDE5A O76074 1/20 0.37
ALDH1A1 P00352 3/20 0.36
PKM P14618 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL13348016 0.80 POLB (0.47) POLBMEN1KMT2AMAPTGLA
SCHEMBL8631339 0.78 POLB (0.70) POLBALOX5CHRM2MEN1CHRM4
SCHEMBL13453301 0.77 POLB (0.59) POLBALOX5CHRM2MEN1CHRM4
SCHEMBL82414 0.77 POLB (0.59) POLBALOX5CHRM2MEN1CHRM4
SCHEMBL10747863 0.77 POLB (0.44) POLBMEN1KMT2AMAPTGLA
SCHEMBL7400838 0.77 ALDH1A1 (0.47) POLBMEN1KMT2AMAPTGLA
SCHEMBL144611 0.74
SCHEMBL13312634 0.74 POLB (0.42) POLBMEN1KMT2AMAPTGLA
SCHEMBL8633566 0.74 TSHR (0.55) POLBALOX5CHRM2MEN1CHRM4
SCHEMBL29957749 0.72 POLB (0.41) POLBMEN1KMT2AMAPTGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034949-B2 Pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-11 US disclosed
US-8034949-B2 Pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-11 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 EP disclosed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 US disclosed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 US disclosed
EP-0755671-B1 DERMATOLOGIC PREPARATION KAO CORP (JP) 1998-07-08 EP disclosed
EP-0755671-A1 DERMATOLOGIC PREPARATION Kao Corporation (JP) 1997-01-29 EP disclosed
US-4710498-A ANTIULCER AGENTS IKEDA MOHANDO CO., LTD. (JP) 1987-12-01 US disclosed
EP-0177016-A2 Pyridyloxy derivatives Ikeda Mohando Co., Ltd. (JP) 1986-04-09 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 (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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 POLB 4390/4885ALOX5 1177/4885CHRM2 55/4885
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same CNR1, CNR2, OPRD1 POLB 3015/4885ALOX5 885/4885CHRM2 111/4885

“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.