SCHEMBL840549

SCHEMBL840549

CCCCCCCCCCCC[N+]12CCN(CC1)CC2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
GNAI3 P08754 3/20 0.33
GNAO1 P09471 3/20 0.33
GNAI1 P63096 3/20 0.33
SLC10A2 Q12908 1/20 0.30

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
SCHEMBL3239761 1.00 TSHR (0.36) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL4059880 1.00 TSHR (0.36) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL841580 1.00 TSHR (0.36) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL4062252 1.00 TSHR (0.36) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL4067401 1.00 TSHR (0.36) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL14380155 1.00 TSHR (0.36) TSHRTHRBGNAI3GNAO1GNAI1
SCHEMBL4058133 1.00 TSHR (0.36) TSHRTHRBGNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL4258623 0.98 GNAI3 (0.36) TSHRTHRBGNAI3GNAO1GNAI1
Bromide SCHEMBL359338 0.98 TSHR (0.35) TSHRTHRBGNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL3245280 0.98 GNAI3 (0.36) TSHRTHRBGNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999298-B2 Dental oral composition NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2015-04-07 US disclosed
EP-2241304-B1 DENTAL ORAL COMPOSITION UNIV OKAYAMA NAT UNIV CORP (JP) 2015-03-25 EP disclosed
US-8426102-B2 Lithographic printing plate precursor and plate making method FUJIFILM CORPORATION (JP) 2013-04-23 US disclosed
US-8426102-B2 Lithographic printing plate precursor and plate making method FUJIFILM CORPORATION (JP) 2013-04-23 US disclosed
US-8309294-B2 2012-11-13 US disclosed
US-8147807-B2 Oral composition for dental purposes NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2012-04-03 US disclosed
US-8143254-B2 Methods for modulating ion channels CORNELL RESEARCH FOUNDATION, INC. (US) 2012-03-27 US disclosed
US-20100330005-A1 DENTAL ORAL COMPOSITION KURARAY MEDICAL INC. (JP) 2010-12-30 US disclosed
EP-2241304-A1 DENTAL ORAL COMPOSITION Kuraray Medical Inc. (JP) 2010-10-20 EP disclosed
US-20100240714-A1 ORAL COMPOSITION FOR DENTAL PURPOSES NAT. UNI. CORP. OKAYAMA UNIVERSITY (JP) 2010-09-23 US disclosed
US-20100179156-A1 Antimicrobial compositions ENGEL ROBERT 2010-07-15 US disclosed
EP-2061445-A2 ANTIMICROBIAL COMPOSITIONS Research Foundation of the City University of New York (US) 2009-05-27 EP disclosed
EP-2044926-A1 ORAL COMPOSITION FOR DENTAL PURPOSES National University Corporation Okayama University (JP) 2009-04-08 EP disclosed
US-20090005386-A1 Methods for Modulating Ion Channels PACE UNIVERSITY 2009-01-01 US disclosed
US-20080318155-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PLATE MAKING METHOD FUJIFILM CORPORATION (JP) 2008-12-25 US disclosed
US-20080269451-A1 Antimicrobial Polymers ETHICON, INC. (US) 2008-10-30 US disclosed
WO-2008105822-A2 ANTIMICROBIAL COMPOSITIONS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2008-09-04 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 (4 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-20100330005-A1 DENTAL ORAL COMPOSITION TAS2R42, TAS2R43, PPM1G TSHR 2505/4885THRB 849/4885GNAI3 473/4885
US-20100240714-A1 ORAL COMPOSITION FOR DENTAL PURPOSES DDOST, PPM1G, PHOSPHO1 TSHR 4182/4885THRB 3143/4885GNAI3 1135/4885
US-20100179156-A1 Antimicrobial compositions FPR2, FPR1, DNM2 TSHR 3679/4885THRB 4264/4885GNAI3 2845/4885
US-20090005386-A1 Methods for Modulating Ion Channels KCNJ5, KCNN4, TRPV1 TSHR 1003/4885THRB 1225/4885GNAI3 249/4885

“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.