SCHEMBL3476951

SCHEMBL3476951

CN1CCC(CCCCN)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.58
SIGMAR1 Q99720 1/20 0.54
CHRM1 P11229 2/20 0.42
ACHE P22303 2/20 0.40
RAD52 P43351 1/20 0.40
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.36
NMT1 P30419 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL1579503 0.93 NCF1 (0.60) NCF1SIGMAR1CHRM1ACHERAD52
SCHEMBL11164665 0.89 NCF1 (0.56) NCF1SIGMAR1ACHEGNAI3GNAO1
SCHEMBL11157613 0.86 NCF1 (0.54) NCF1SIGMAR1ACHEGNAI3GNAO1
SCHEMBL41970 0.84 NCF1 (0.65) NCF1SIGMAR1CHRM1ACHEGNAI3
SCHEMBL245769 0.84 NCF1 (0.56) NCF1SIGMAR1ACHEGNAI3GNAO1
SCHEMBL28478842 0.83 NCF1 (0.52) NCF1SIGMAR1CHRM1ACHERAD52
SCHEMBL23718143 0.82 NCF1 (0.44) NCF1SIGMAR1CHRM1ACHERAD52
SCHEMBL7345202 0.80 GNAO1 (0.56) NCF1CHRM1ACHEGNAI3GNAO1
SCHEMBL6121353 0.79 SIGMAR1 (0.50) NCF1SIGMAR1CHRM1RAD52ALDH1A1
SCHEMBL13598964 0.78 GNAO1 (0.58) NCF1CHRM1ACHEGNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371548-A1 HYALURONIC ACID DERIVATIVE MODIFIED WITH POLYETHYLENE GLYCOL CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-12-02 US disclosed
EP-3712181-A1 HYALURONIC ACID DERIVATIVE MODIFIED WITH POLY(ETHYLENE GLYCOL) Chugai Seiyaku Kabushiki Kaisha (JP) 2020-09-23 EP disclosed
US-20190142959-A1 HYALURONIC ACID DERIVATIVES INTO WHICH CATIONIC AND HYDROPHOBIC GROUPS ARE INTRODUCED CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2019-05-16 US disclosed
EP-3456745-A1 HYALURONIC ACID DERIVATIVE HAVING CATIONIC GROUP AND HYDROPHOBIC GROUP INTRODUCED THEREIN Chugai Seiyaku Kabushiki Kaisha (JP) 2019-03-20 EP disclosed
WO-2017195880-A1 HYALURONIC ACID DERIVATIVE HAVING CATIONIC GROUP AND HYDROPHOBIC GROUP INTRODUCED THEREIN 中外製薬株式会社 2017-11-16 WO disclosed
EP-1481966-B1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2011-07-20 EP disclosed
EP-2004188-B1 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2010-09-01 EP disclosed
US-7589087-B2 Benzoimidazol-2-yl pyridines as modulators of the histamine H4receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2009-09-15 US disclosed
EP-2004188-A4 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-04-22 EP disclosed
EP-2004188-A2 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-24 EP disclosed
WO-2007117400-A2 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-18 WO disclosed
US-20070232616-A1 Benzoimidazol-2-yl pyridines as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-04 US 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 (3 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-20210371548-A1 HYALURONIC ACID DERIVATIVE MODIFIED WITH POLYETHYLENE GLYCOL CD44, F12, HPSE NCF1 1432/4885SIGMAR1 3577/4885CHRM1 4013/4885
US-20070232616-A1 Benzoimidazol-2-yl pyridines as modulators of the histamine H4 receptor HRH4, HRH3, HRH2 NCF1 1170/4885SIGMAR1 1574/4885CHRM1 166/4885
US-20190142959-A1 HYALURONIC ACID DERIVATIVES INTO WHICH CATIONIC AND HYDROPHOBIC GROUPS ARE INTRODUCED CD44, MUC1, FUT5 NCF1 724/4885SIGMAR1 3062/4885CHRM1 3520/4885

“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.