SCHEMBL175960

SCHEMBL175960

C=CCC1(C)NCCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
SIGMAR1 Q99720 3/20 0.37
HTR2A P28223 2/20 0.35

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
SCHEMBL8817015 0.81 MEN1 (0.40) MEN1SIGMAR1HTR2A
SCHEMBL8820020 0.80 HTR2A (0.39) MEN1HTR2A
SCHEMBL12489590 0.79 HTR2A (0.38) MEN1HTR2A
SCHEMBL8820220 0.78 HTR2A (0.37) MEN1SIGMAR1HTR2A
SCHEMBL28946032 0.77 KDM1A (0.38)
SCHEMBL30167263 0.77 KDM1A (0.38)
SCHEMBL9809143 0.76 MEN1 (0.40) MEN1SIGMAR1HTR2A
SCHEMBL29080999 0.76 MEN1 (0.38) MEN1SIGMAR1HTR2A
SCHEMBL28946005 0.74 MEN1 (0.37) MEN1SIGMAR1HTR2A
SCHEMBL28922175 0.72 SIGMAR1 (0.41) MEN1SIGMAR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611788-B1 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE UNIV FLORIDA (US) 2017-04-12 EP disclosed
US-9440948-B2 Nicotine compounds and analogs thereof, synthetic methods of making compounds, and methods of use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-09-13 US disclosed
EP-2611788-A2 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE University of Florida Research Foundation, Incorporated (US) 2013-07-10 EP disclosed
US-20130157995-A1 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-06-20 US disclosed
WO-2012031220-A2 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-03-08 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 (1 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-20130157995-A1 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE CHRNG, CHRNB1, CHRNB2 MEN1 2523/4885SIGMAR1 359/4885HTR2A 80/4885

“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.