SCHEMBL83585

SCHEMBL83585

CCCCN(CCCC)c1ccc2cc(/C=C/c3cc[n+](CCCS(=O)(=O)O)cc3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.52
CHRM4 P08173 2/20 0.52
CHRM5 P08912 2/20 0.52
CHRM1 P11229 2/20 0.52
CHRM3 P20309 2/20 0.52
APP P05067 3/20 0.50
KDM4A O75164 3/20 0.46
KDM2A Q9Y2K7 3/20 0.46
INSR P06213 1/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
THRB P10828 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
ATG4B Q9Y4P1 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
SCHEMBL4298270 1.00 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
Water SCHEMBL22655270 0.99 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
Water SCHEMBL22655271 0.99 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18493455 0.96 KDM4A (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18493454 0.96 KDM4A (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL26644133 0.90 CHRM2 (0.62) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL29860214 0.90 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18796804 0.90 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18796805 0.90 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
Water SCHEMBL7040807 0.89 CHRM2 (0.61) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636424-B2 Composition, method, system and kit for optical electrophysiology THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2017-05-02 US disclosed
US-20160256576-A1 COMPOSITION, METHOD, SYSTEM AND KIT FOR OPTICAL ELECTROPHYSIOLOGY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-08 US disclosed
US-9357924-B2 Composition, method, system and kit for optical electrophysiology THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2016-06-07 US disclosed
US-20120196893-A1 COMPOSITION, METHOD, SYSTEM AND KIT FOR OPTICAL ELECTROPHYSIOLOGY THE UNIVERSITY OF CONNECTICUT (US) 2012-08-02 US disclosed
US-8155730-B2 Composition, method, system, and kit for optical electrophysiology THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2012-04-10 US disclosed
US-8129532-B2 Amino(oligo)thiophene dyes, preparation thereof, and optical methods of use THE UNIVERSITY OF CONNECTICUT (US) 2012-03-06 US disclosed
US-20090227469-A1 CELLS AND ASSAYS FOR USE IN DETECTING LONG QT SYNDROME THE J. DAVID GLADSTONE INSTITUTES 2009-09-10 US disclosed
US-20090042227-A1 AMINO(OLIGO)THIOPHENE DYES, PREPARATION THEREOF, AND OPTICAL METHODS OF USE NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-02-12 US disclosed
US-20080097222-A1 COMPOSITION, METHOD, SYSTEM, AND KIT FOR OPTICAL ELECTROPHYSIOLOGY THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-04-24 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-20160256576-A1 COMPOSITION, METHOD, SYSTEM AND KIT FOR OPTICAL ELECTROPHYSIOLOGY KCNN3, KCNN2, KCNN1 CHRM2 601/4885CHRM4 344/4885CHRM5 283/4885
US-20090042227-A1 AMINO(OLIGO)THIOPHENE DYES, PREPARATION THEREOF, AND OPTICAL METHODS OF USE NLN, NME4, OAT CHRM2 2565/4885CHRM4 780/4885CHRM5 1432/4885
US-20120196893-A1 COMPOSITION, METHOD, SYSTEM AND KIT FOR OPTICAL ELECTROPHYSIOLOGY KCNN3, KCNN2, KCNN1 CHRM2 601/4885CHRM4 344/4885CHRM5 283/4885

“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.